Scientific/academic conferences (including workshops and seminars) 

2025

202. Nano Energy & X Seminar, Suzhou Institute of Nanotechnology and Nanobionics (SINANO), Chinese Academy of Sciences, Suzhou, People's Republic of China (2025)
IN SEARCH OF METASTABLE COMPLEX SURFACE OXIDES ON METALS WITH DATA-DRIVEN ARTIFICIAL AND NATURAL INTELLIGENCE INSPIRED IN SILICO EXPERIMENTS
A. Soon (Invited)

2024

201. International Conference on Electronic Materials and Nanotechnology for Green Environment 2024 (ENGE2024), Jeju, Republic of Korea (2024)
INTERNATIONAL COOPERATIONS AND EXPERIENCES IN DIGITAL MATERIALS SCIENCE RESEARCH: ANECDOTES OF MY JOURNEY IN SCIENCE
A. Soon

200. 25th Congress of the Australian Institute of Physics (AIP), Melbourne, Australia (2024)
EFFICIENT COMPLEX SURFACE STRUCTURE SEARCH VIA INTERPOLATION BETWEEN CHEMICAL ELEMENTS
G. Lee, C. Stampfl, and A. Soon

199. Deutschen Physikalischen Gesellschaft (DPG) Spring Meeting of the Condensed Matter Section (SKM), Berlin, Germany (2024)
COMPRESSED CHARGES AND INTERFACE DIPOLES PERSIST AT TWO-DIMENSIONAL VAN DER WAALS HETEROJUNCTIONS
J.-H. Ko, G. Lee, W. Jang, and A. Soon

2023

198. 13th International Conference on Advanced Materials and Devices (ICAMD), Jeju, Republic of Korea (2023)
OXYGEN EVOLUTION REACTION IN HOLLANDITE SURFACE: THE ROLE OF INTERCALATED POTASSIUM ON IRIDIUM OXIDE
S. Lee, T. Lee, and A. Soon

197. Materials Research Society (MRS) Fall Meeting & Exhibit, Boston, USA (2023)
DATABASE-DRIVEN SURVEY OF SOLID-STATE ELECTROLYTES FOR Li- AND Na-METAL ANODE BATTERIES
G. Heo, T. Lee, and A. Soon

196. Materials Research Society (MRS) Fall Meeting & Exhibit, Boston, USA (2023)
UNDERSTANDING NaNbO3-BASED CERAMICS WITH ENHANCED ANTIFERROELECTRICITY FOR HIGH ENERGY-STORAGE DENSITY APPLICATIONS
W. Hwang, K. Kim, S.-H. V. Oh, and A. Soon

195. Materials Research Society (MRS) Fall Meeting & Exhibit, Boston, USA (2023)
EXPLORING OPTIMAL CANDIDATES FOR WATER-SPLITTING REACTIONS IN ZnTe-BASED ALLOYS: A MACHINE LEARNING APPROACH USING SMALL DATASET
S.-H. V. Oh, S.-H. Yoo, and A. Soon

194. 11th International Conference on Materials for Advanced Technologies (ICMAT), Singapore (2023)
CHARACTERIZING ULTRATHIN OXIDIC FILMS ON METALS: ROLE OF DATA-DRIVEN MODELS AND HIGH-RESOLUTION EXPERIMENTS
A. Soon (Invited)

193. Korean Institute of Metals and Materials (KIM+) Spring Meeting, Jeju, Republic of Korea (2023)
CHARACTERIZING ULTRATHIN OXIDIC FILMS ON METALS: ROLE OF DATA-DRIVEN MODELS AND HIGH-RESOLUTION EXPERIMENTS
A. Soon (Invited)

192. Korean Physical Society (KPS) Spring Meeting, Daejeon, Republic of Korea (2023)
[KPS-DPG Symposium – Symposium on Computational Electrocatalysis and Frontiers in Scanning Tunneling Microscopy]
TRACING THE STRUCTURAL EVOLUTION OF ULTRATHIN SURFACE OXIDES IN VACUUM AND UNDER AN AQUEOUS ENVIRONMENT
G. Lee and A. Soon (Invited)

191. Surface Science Discussions SSD2023 (2023, virtual)
CHARACTERIZING ULTRATHIN OXIDIC FILMS ON METALS: ROLE OF DATA-DRIVEN MODELS AND HIGH-RESOLUTION EXPERIMENTS
A. Soon (Invited)

2022

190. Materials Research Society (MRS) Fall Meeting & Exhibit, Boston, USA (2022)
IONIC TRANSPORT IN NATURAL PHYLLOSILICATES
G. Lee, G. Heo, and A. Soon

189. Materials Research Society (MRS) Fall Meeting & Exhibit, Boston, USA (2022)
THE ROLE OF INTERLAYER CHARGE COMPRESSION EFFECTS IN THE VAN DER WAALS HETEROINTERFACES OF ReSe2/GRAPHENE AND ReSe2/h-BN DEMYSTIFIED
J.-H. Ko, W. Jang, and A. Soon

188. Materials Research Society (MRS) Fall Meeting & Exhibit, Boston, USA (2022)
EXPLORING THE STRUCTURE-ENERGY LANDSCAPE OF OXIDIC STRUCTURES ON COPPER SURFACES WITH MACHINE LEARNING POTENTIALS AND GLOBAL OPTIMIZATION METHODS
H. J. Kim, G. Lee, S.-H. V. Oh, and A. Soon

187. Korean Institute of Metals and Materials (KIM+) Fall Meeting, Jeju, Republic of Korea (2022)
EXPLORING THE STRUCTURE-ENERGY LANDSCAPE OF OXIDIC STRUCTURES ON COPPER SURFACES WITH MACHINE LEARNING POTENTIALS AND GLOBAL OPTIMIZATION METHODS
G. Lee, H. Kim, and A. Soon

186. 6th Psi-k Conference, Lausanne, Switzerland (2022)
COMPUTATIONAL SURFACE MICROSCOPY: MOVING BEYOND SIMPLE MODELS AND PYTHON-ENABLED GRAPHICAL USER INTERFACE (GUI)
G. Lee, K. Palotás, and A. Soon

185. 6th Psi-k Conference, Lausanne, Switzerland (2022)
UNDERSTANDING ION INSERTION IN NATURAL PHYLLOSILICATES
G. Heo, G. Lee, M. S. Santos, and A. Soon

184. 6th Psi-k Conference, Lausanne, Switzerland (2022)
DATA-DRIVEN MATERIALS INFORMATICS FOR JANUS-TYPE NANOMATERIALS DISCOVERY
W. Hwang, S.-H. V. Oh, A. Soon, S.-H. Yoo, and W. Jang

183. 6th Psi-k Conference, Lausanne, Switzerland (2022)
EXPLICATING THE IRREVERSIBLE ELECTRIC-FIELD-ASSISTED FERROELECTRIC PHASE TRANSITION IN THE OTHERWISE ANTIFERROELECTRIC SODIUM NIOBATE FOR ENERGY STORAGE SYSTEMS
K. Kim, W. Hwang, J.-H. Lee, and A. Soon

182. 6th Psi-k Conference, Lausanne, Switzerland (2022)
USING FEATURE-ASSISTED MACHINE LEARNING ALGORITHMS TO BOOST POLARITY IN LEAD-FREE MULTICOMPONENT NIOBATE ALLOYS FOR HIGH-PERFORMANCE FERROELECTRICS
S.-H. V. Oh, W. Hwang, K. Kim, J.-H. Lee, and A. Soon

181. 6th Psi-k Conference, Lausanne, Switzerland (2022)
ACTIVATED CHEMICAL BONDS IN NANOPOROUS AND AMORPHOUS IRIDIUM OXIDES FAVOR LOW OVERPOTENTIAL FOR OXYGEN EVOLUTION REACTION
S. Lee, Y.-J. Lee, G. Lee, and A. Soon

2021

180. 12th International Conference on Advanced Materials and Devices (ICAMD), Jeju, Republic of Korea (2021)
COMPUTATIONAL SURFACE MICROSCOPY: MOVING BEYOND SIMPLE MODELS AND PYTHON-ENABLED GRAPHICAL USER INTERFACE (GUI)
G. Lee, K. Palotás, and A. Soon

179. 12th International Conference on Advanced Materials and Devices (ICAMD), Jeju, Republic of Korea (2021)
UNDERSTANDING THE (ANTI)FERROELECTRIC PHASE TRANSITION IN NaNbO3 FROM FIRST-PRINCIPLES CALCULATIONS
K. Kim, W. Hwang, J.-H. Lee, and A. Soon

178. 12th International Conference on Advanced Materials and Devices (ICAMD), Jeju, Republic of Korea (2021)
ENHANCED POLARIZATION IN EPITAXIALLY STRAINED MONOCLINIC POTASSIUM NIOBATE FOR LEAD-FREE ELECTROMECHANICAL APPLICATIONS
W. Hwang, J.-H. Lee, and A. Soon

177. 12th International Conference on Advanced Materials and Devices (ICAMD), Jeju, Republic of Korea (2021)
ACTIVATED CHEMICAL BONDS IN NANOPOROUS AND AMORPHOUS IRIDIUM OXIDES FAVOR LOW OVERPOTENTIAL FOR OXYGEN EVOLUTION REACTION
S. Lee, Y.-J. Lee, G. Lee, and A. Soon

176. 12th International Conference on Advanced Materials and Devices (ICAMD), Jeju, Republic of Korea (2021)
USING FEATURE-ASSISTED MACHINE LEARNING ALGORITHMS TO BOOST POLARITY IN LEAD-FREE MULTICOMPONENT NIOBATE ALLOYS FOR HIGH-PERFORMANCE FERROELECTRIC APPLICATIONS
S.-H. V. Oh, W. Hwang, K. Kim, J.-H. Lee, and A. Soon

175. 12th International Conference on Advanced Materials and Devices (ICAMD), Jeju, Republic of Korea (2021)
TUNABLE THRESHOLD VOLTAGE OF ZnTe-BASED OVONIC SWITCHING DEVICES VIA ISOVALENT CATION EXCHANGE
Y.-J. Lee, M. Han, S.-H. Yoo, and A. Soon

174. 12th International Conference on Advanced Materials and Devices (ICAMD), Jeju, Republic of Korea (2021)
CHARACTERIZING ULTRATHIN OXIDIC FILMS ON METALS: ROLE OF HIGH-LEVEL THEORY AND HIGH-RESOLUTION EXPERIMENTS
A. Soon (Invited)

173. Korean Institute of Metals and Materials (KIM+) Fall Meeting, Jeju, Republic of Korea (2021)
DEVELOPING PYTHON-ENABLED GRAPHICAL USER INTERFACE (GUI) FOR COMPUTATIONAL SURFACE MICROSCOPY OF LOW-DIMENSIONAL MATERIALS
G. Lee and A. Soon

172. Virtual Vacuum Congress 2021, hosted by the Vacuum Society of Australia (2021, virtual)
COMPLETING THE PICTURE OF INITIAL OXIDATION ON COPPER: THE ROLE OF HIGH-LEVEL THEORY AND HIGH-RESOLUTION EXPERIMENTS
A. Soon

171. Materials Research Society - Korea (MRS-K) Spring Meeting, Gwangju, Republic of Korea (2021, virtual)
CHARACTERIZING ULTRATHIN OXIDIC FILMS ON METALS: ROLE OF HIGH-LEVEL THEORY AND HIGH-RESOLUTION EXPERIMENTS
A. Soon (Invited)

170. 2021 Virtual Materials Research Society (MRS) Spring Meeting & Exhibit (2021, virtual)
COMPLETING THE PICTURE OF EMBRYONIC OXIDATION ON COPPER
Y.-J. Lee, T. T. Ly, T. Lee, K. Palotás, S. Y. Jeong, J. Kim, and A. Soon

169. 2021 Virtual Materials Research Society (MRS) Spring Meeting & Exhibit (2021, virtual)
ANISOTROPIC STRUCTURAL INDEX FOR FERROELECTRIC PROPERTIES OF STRAINED KNbO3 PEROVSKITE POLYMORPHS
W. Hwang, S. Yoon, J.-H. Lee, and A. Soon

168. 2021 Virtual Materials Research Society (MRS) Spring Meeting & Exhibit (2021, virtual)
HIGH-THROUGHPUT DATA-MINING OF TRANSITION METAL CARBIDES AND NITRIDES FOR PROMISING CO HETEROGENEOUS CATALYST SUPPORTS
G. Lee, T. Lee, and A. Soon

167. 2021 Virtual Materials Research Society (MRS) Spring Meeting & Exhibit (2021, virtual)
DESIGNING POLYMORPHIC NANOPOROUS IRIDIUM OXIDES FOR OXYGEN EVOLUTION CATALYSIS
S. Lee, Y.-J. Lee, G. Lee, and A. Soon

166. 2021 Virtual Materials Research Society (MRS) Spring Meeting & Exhibit (2021, virtual)
EXPLORING MIXED-CATION NIOBATES FOR HIGH-PERFORMANCE DIELECTRIC
S. Oh, W. Hwang, and A. Soon

165. Deutschen Physikalischen Gesellschaft (DPG) Spring Meeting of the Condensed Matter Section (SKM), Surface Science 21 (2021, virtual)
COMPLETING THE PICTURE OF EMBRYONIC OXIDATION ON COPPER
Y.-J. Lee, T. T. Ly, T. Lee, K. Palotás, S. Y. Jeong, J. Kim, and A. Soon

164. Deutschen Physikalischen Gesellschaft (DPG) Spring Meeting of the Condensed Matter Section (SKM), Surface Science 21 (2021, virtual)
DEFECT-MEDIATED AB INITIO THERMODYNAMICS OF METASTABLE γ-MoN(001)
G. Lee, H. Lee, T. Lee, and A. Soon

2020

163. 6th International Conference on Electronic Materials and Nanotechnology for Green Environment 2020 (ENGE 2020), Jeju, Republic of Korea (2020)
PHASE STABILITY DIAGRAMS OF GROUP 6 MAGNÉLI OXIDES AND THEIR IMPLICATIONS FOR PHOTON-ASSISTED APPLICATIONS (Online Presentation)
Y.-J. Lee, T. Lee, and A. Soon

162. 6th International Conference on Electronic Materials and Nanotechnology for Green Environment 2020 (ENGE 2020), Jeju, Republic of Korea (2020)
STRAIN-DRIVEN CONTROL OF MATERIAL PROPERTIES IN POLYMORPHIC ALKALI-METAL NIOBATES (Online Presentation)
W. Hwang, S. Yoon, and A. Soon

161. 6th International Conference on Electronic Materials and Nanotechnology for Green Environment 2020 (ENGE 2020), Jeju, Republic of Korea (2020)
ATOMIC STRUCTURE AND WORK FUNCTION MODULATIONS IN TWO-DIMENSIONAL ULTRATHIN CuI FILMS ON Cu(111) FROM FIRST-PRINCIPLES (Online Presentation)
G. Lee, Y.-J. Lee, K. Palotás, T. Lee and A.Soon

160. Korean Institute of Metals and Materials (KIM+) Fall Meeting, Online Presentation (2020)
HIGH-THROUGHPUT DATA-MINING OF TRANSITION METAL CARBIDES AND NITRIDES FOR PROMISING CONDUCTIVE LOW-COST HETEROGENEOUS CATALYST SUPPORTS
G. Lee, T. Lee, and A. Soon

159. Korean Ceramic Society Spring Meeting, Online Presentation (2020)
PHASE STABILITY DIAGRAMS OF GROUP 6 MAGNÉLI OXIDES AND THEIR IMPLICATIONS FOR PHOTON-ASSISTED APPLICATIONS
Y.-J. Lee, T. Lee, and A. Soon

158. Korean Ceramic Society Spring Meeting, Online Presentation (2020)
POLYMORPHIC EXPRESSIONS IN EPITAXIALLY STRAINED ALKALI-METAL NIOBATES
W. Hwang, S. Yoon, and A. Soon

157. Electronic Materials and Applications 2020 (EMA 2020) Conference, Orlando, FL, USA (2020)
POLYMORPHIC EXPRESSIONS IN EPITAXIALLY STRAINED ALKALI-METAL NIOBATES
W. Huang, S. Yoon and A. Soon

156. Electronic Materials and Applications 2020 (EMA 2020) Conference, Orlando, FL, USA (2020)
TWO-DIMENSIONAL CuI ON Cu(111): A FIRST-PRINCIPLES INVESTIGATION
G. Lee, T. Lee and A. Soon

2019

155. Korean Ceramic Society Fall Meeting, COEX Seoul, Republic of Korea (2019)
PHASE STABILITY DIAGRAMS OF GROUP 6 MAGNÉLI OXIDES AND THEIR IMPLICATIONS FOR PHOTON-ASSISTED APPLICATIONS
Y.-J. Lee, T. Lee, and A. Soon

154. Korean Ceramic Society Fall Meeting, COEX Seoul, Republic of Korea (2019)
POLYMORPHIC EXPRESSIONS IN ALKALI-METAL NIOBATES: EXAMINING STRUCTURAL DIVERSITY IN FUNCTIONAL PIEZO-ELECTROCERAMICS
W. Huang, S. Yoon and A. Soon

153. Korean Ceramic Society Fall Meeting, COEX Seoul, Republic of Korea (2019)
CHEMICAL BONDING AND ELECTRONIC STRUCTURE ANALYSIS OF LAYERED HEXAGONAL ZnIn2S4
J. Lee, T. Lee, W. Jang, and A. Soon

152. 9th Conference of the Asia-Pacific Association of Theoretical and Computational Chemists (APATCC-9), Sydney, Australia (2019)
A. Soon, Invited Session Chair (Invited)

151. 10th Biennial International Conference of The Asian Consortium on Computational Materials Science (ACCMS-10) conference, Hong Kong (2019)
CHARACTERIZATION OF TWO-DIMENSIONAL ULTRATHIN OXIDES ON METAL SUBSTRATES: A THEORETICAL SURFACE SCIENCE CONTEXT
T. Lee, Y.-J. Lee, K. Palotás, and A. Soon (Invited)

150. 10th Biennial International Conference of The Asian Consortium on Computational Materials Science (ACCMS-10) conference, Hong Kong (2019)
PHASE STABILITY DIAGRAMS OF GROUP 6 MAGNÉLI OXIDES AND THEIR IMPLICATIONS FOR PHOTON-ASSISTED APPLICATIONS
Y.-J. Lee, T. Lee, and A. Soon

149. 10th Biennial International Conference of The Asian Consortium on Computational Materials Science (ACCMS-10) conference, Hong Kong (2019)
CHEMICAL BONDING AND ELECTRONIC STRUCTURE ANALYSIS OF LAYERED HEXAGONAL ZnIn2S4
J. Lee, T. Lee, W. Jang, and A. Soon

148. 17th International Nanotech Symposium & Nano-Convergence Expo (NANO KOREA 2019), KINTEX, Ilsan, Republic of Korea (2019)
POLYMORPHIC EXPRESSIONS IN ALKALI-METAL NIOBATES: EXAMINING STRUCTURAL DIVERSITY IN FUNCTIONAL PIEZO-ELECTROCERAMICS
W. Hwang, S. Yoon, and A. Soon

147. 17th International Nanotech Symposium & Nano-Convergence Expo (NANO KOREA 2019), KINTEX, Ilsan, Republic of Korea (2019)
EFFECT OF ANIONIC EXCHANGE IN MONOLAYER GROUP-IV MONOCHALCOGENIDES ON OPTOELECTRONIC PROPERTIES
Y. Na, W. Hwang, and A. Soon

146. Korean Ceramic Society Spring Meeting, Jeju, Republic of Korea (2019)
POLYMORPHIC EXPRESSIONS OF SUPPORTED LOW-DIMENSIONAL MoOx ON Au(111)
T. Lee, Y.-J. Lee, G. Lee, and A. Soon (Invited)

145. Korean Ceramic Society Spring Meeting, Jeju, Republic of Korea (2019)
CHEMICAL BONDING AND ELECTRONIC STRUCTURE ANALYSIS OF LAYERED HEXAGONAL ZnIn2S4
J. Lee, T. Lee, W. Jang, and A. Soon

144. Korean Ceramic Society Spring Meeting, Jeju, Republic of Korea (2019)
DOPING, DEFECTS, AND DISORDER: EXAMINING THE ELECTRONIC STRUCTURE OF QUINTERNARY OXYSULFIDE (Ba,Ca)ZnOS FROM FIRST-PRINCIPLES
W. Hwang and A. Soon

143. Deutschen Physikalischen Gesellschaft (DPG) Spring Meeting of the Condensed Matter Section (SKM), Regensburg, Germany (2019)
POLYMORPHIC EXPRESSIONS OF ULTRATHIN OXIDIC LAYERS OF Mo ON Au(111)
T. Lee, Y.-J. Lee, K. Palotás, G. Lee, C. Stampfl, and A. Soon

142. Deutschen Physikalischen Gesellschaft (DPG) Spring Meeting of the Condensed Matter Section (SKM), Regensburg, Germany (2019)
REVISITING THE O/Cu(111) SYSTEM (AGAIN): LOOKING THROUGH THE LENS OF THEORETICAL SURFACE SPECTROSCOPY AND MICROSCOPY
T. Lee, Y.-J. Lee, G. Lee, K. Palotás, and A. Soon

141. Deutschen Physikalischen Gesellschaft (DPG) Spring Meeting of the Condensed Matter Section (SKM), Regensburg, Germany (2019)
TWO-DIMENSIONAL CuI ON Cu(111): A FIRST-PRINCIPLES INVESTIGATION
G. Lee, T. Lee, and A. Soon

140. Deutschen Physikalischen Gesellschaft (DPG) Spring Meeting of the Condensed Matter Section (SKM), Regensburg, Germany (2019)
MIXING THERMODYNAMICS OF MoO3-WO3 SOLID SOLUTIONS FROM FIRST-PRINCIPLES CALCULATIONS
J. Yun, R. Grau-Crespo, and A. Soon

139. Deutschen Physikalischen Gesellschaft (DPG) Spring Meeting of the Condensed Matter Section (SKM), Regensburg, Germany (2019)
DESIGNING NEW TWO-DIMENSIONAL JANUS NANOMATERIALS BY ANIONIC EXCHANGE
W. Jang and A. Soon

138. Electronic Materials and Applications 2019 (EMA 2019) Conference, Orlando, FL, USA (2019)
AB INITIO THERMODYNAMICS OF COMPLEX SURFACE OXIDES UNDER CONTROLLED GROWTH CONDITIONS
A. Soon (Invited)

137. Electronic Materials and Applications 2019 (EMA 2019) Conference, Orlando, FL, USA (2019)
EXPISCATING THE ACCURATE ATOMIC STRUCTURE OF COMPLEX SURFACE OXIDES ON Cu(111): A FIRST-PRINCIPLES INVESTIGATION
Y.-J. Lee, T. Lee and A. Soon

136. Electronic Materials and Applications 2019 (EMA 2019) Conference, Orlando, FL, USA (2019)
CHEMICAL BONDING AND ELECTRONIC STRUCTURE ANALYSIS OF LAYERED HEXAGONAL ZnIn2S4
J. Lee, T. Lee, W. Jang and A. Soon

2018

135. International Symposium on Ab Initio Electron Dynamics Simulations, Tsukuba, Japan (2018)
INTERFACE EFFECTS ON THE IONIC CONDUCTIVITY OF DOPED CERIA-YTTRIA-STABILIZED ZIRCONIA HETEROINTERFACE
M. E. Kilic and A. Soon

134. Korean Physical Society (KPS) Fall Meeting, Changwon, Republic of Korea (2018)
THE GENESIS OF OXIDATION ON METALS: A THEORETICAL SURFACE SCIENCE APPROACH
A. Soon (Invited)

133. Korean Physical Society (KPS) Fall Meeting, Changwon, Republic of Korea (2018)
SYSTEMATIC CHARACTERIZATION OF METAL-SUPPORTED ULTRATHIN COPPER OXIDE LAYERS FROM FIRST-PRINCIPLES CALCULATIONS
T. Lee, Y. Lee, K. Palotás, and A. Soon

132. Korean Physical Society (KPS) Fall Meeting, Changwon, Republic of Korea (2018)
OVER-STOICHIOMETRY IN HEAVY METAL OXIDES: THE CASE OF IONO-COVALENT TANTALUM TRIOXIDES
Y.-J. Lee, T. Lee, and A. Soon

131. Emerging Technologies in Mechanical Engineering (ETME), Jeju, Republic of Korea (2018)
REDUCTION IN PHONON GROUP VELOCITY IN NANOFILMS
H. Kim, M. E. Kilic, A. Soon, and W. Kim

130. International Union of Materials Research Societies – International Conference on Electronic Materials 2018 (IUMRS-ICEM 2018), Daejeon, Republic of Korea (2018)
INFLUENCE OF Rb/Cs CATION-EXCHANGE ON INORGANIC Sn HALIDE PEROVSKITES: FROM CHEMICAL STRUCTURE TO PHYSICAL PROPERTIES
Y.-K. Jung, J.-H. Lee, A. Walsh, and A. Soon

129. International Union of Materials Research Societies – International Conference on Electronic Materials 2018 (IUMRS-ICEM 2018), Daejeon, Republic of Korea (2018)
SYSTEMATIC CHARACTERIZATION OF METAL-SUPPORTED ULTRATHIN COPPER OXIDE LAYERS FROM FIRST-PRINCIPLES CALCULATIONS
T. Lee, Y. Lee, B. Lee, K. Palotás, and A. Soon

128. International Union of Materials Research Societies – International Conference on Electronic Materials 2018 (IUMRS-ICEM 2018), Daejeon, Republic of Korea (2018)
AB INITIO THERMODYNAMICS OF SURFACE OXIDE STRUCTURES UNDER CONTROLLED GROWTH CONDITIONS
T. Lee, Y. Lee, S. Piccinin, and A. Soon

127. International Union of Materials Research Societies – International Conference on Electronic Materials 2018 (IUMRS-ICEM 2018), Daejeon, Republic of Korea (2018)
REMARKABLY LOW-ENERGY ONE-DIMENSIONAL FAULT LINE DEFECTS IN SINGLE-LAYERED PHOSPHORENE
W. Jang, K. Kang, and A. Soon

126. International Union of Materials Research Societies – International Conference on Electronic Materials 2018 (IUMRS-ICEM 2018), Daejeon, Republic of Korea (2018)
UNRAVELING THE INTERCALATION CHEMISTRY OF HEXAGONAL TUNGSTEN BRONZE AND ITS OPTICAL RESPONSES
Y. Lee, T. Lee, W. Jang, and A. Soon

125. International Union of Materials Research Societies – International Conference on Electronic Materials 2018 (IUMRS-ICEM 2018), Daejeon, Republic of Korea (2018)
AB INITIO SURFACE PHASE DIAGRAM OF Sn/Cu(100): RECONCILING EXPERIMENTS WITH THEORY
J.-H. Lee, J. Yun, T. Lee, and A. Soon

124. International Union of Materials Research Societies – International Conference on Electronic Materials 2018 (IUMRS-ICEM 2018), Daejeon, Republic of Korea (2018)
ALIGNING THE BAND STRUCTURES OF POLYMORPHIC MOLYBDENUM OXIDES AND ORGANIC EMITTERS IN LIGHT-EMITTING DIODES
J. Yun, W. Jang, T. Lee, Y. Lee, and A. Soon

123. International Union of Materials Research Societies – International Conference on Electronic Materials 2018 (IUMRS-ICEM 2018), Daejeon, Republic of Korea (2018)
EXPLORING ENVIRONMENT-DEPENDENT SHAPE EVOLUTION IN M2X3 NANO-CRYSTALLITES: A FIRST-PRINCIPLES THERMODYNAMICS APPROACH
J. Lee and A. Soon

122. International Union of Materials Research Societies – International Conference on Electronic Materials 2018 (IUMRS-ICEM 2018), Daejeon, Republic of Korea (2018)
CHEMICAL TRANSFORMATION OF METALS AND CHALCOGENS: AN EXPERIMENTAL AND THEORETICAL INVESTIGATION
J. Lee, G. Park, S. Moon, H. Yang, A. Giri, J. Kwak, Y.-K. Jung, U. Jeong, and A. Soon

121. ACCMS-PRO Satellite Meeting, NANO KOREA 2018, KINTEX Seoul, Republic of Korea (2018)
AB INITIO THERMODYNAMICS OF SURFACE OXIDE STRUCTURES UNDER CONTROLLED GROWTH CONDITIONS
T. Lee, Y. Lee, S. Piccinin, and A. Soon (Invited)

120. International Conference on Theoretical Aspects of Catalysis 17 (ICTAC 17), Los Angeles, CA, USA (2018)
SYSTEMATIC CHARACTERIZATION OF METAL-SUPPORTED ULTRATHIN COPPER OXIDE LAYERS FROM FIRST-PRINCIPLES CALCULATIONS
T. Lee, Y. Lee, B. Lee, K. Palotás, and A. Soon

119. 16th Workshop on First-Principles Computational Materials Physics, Hsinchu, Taiwan (2018)
COMPOSITION-DEPENDENT PHASE STABILITY IN YTTRIA STABILIZED ZIRCONIA
J. Yun, M. E. Kilic, and A. Soon

118. 16th Workshop on First-Principles Computational Materials Physics, Hsinchu, Taiwan (2018)
AB INITIO THERMODYNAMICS OF SURFACE OXIDE STRUCTURES UNDER CONTROLLED GROWTH CONDITIONS
T. Lee, Y. Lee, and A. Soon (Invited)

117. Quantum Espresso Workshop, Penn State University, PA, USA (2018)
LATTICE DYNAMICS OF POLYMORPHIC ZnIn2S4: AN AB INITIO STUDY
J. Lee, W. Jang, T. Lee, and A. Soon

116. Materials Research Society (MRS) Spring Meeting, Phoenix, AZ, USA (2018)
ION DIFFUSION OF YTTRIA-SCANDIA STABILIZED ZIRCONIA HETEROGENEOUS INTERFACES
M. E. Kilic and A. Soon

115. American Physical Society (APS) March Meeting, Los Angeles, CA, USA (2018)
AB INITIO THERMODYNAMICS OF SURFACE OXIDE STRUCTURES UNDER CONTROLLED GROWTH CONDITIONS
T. Lee, Y. Lee, S. Piccinin, and A. Soon

114. American Physical Society (APS) March Meeting, Los Angeles, CA, USA (2018)
DESIGNING NEW TWO-DIMENSIONAL JANUS NANOMATERIALS BY ANIONIC EXCHANGE
W. Jang and A. Soon

113. American Physical Society (APS) March Meeting, Los Angeles, CA, USA (2018)
SYSTEMATIC CHARACTERIZATION OF METAL-SUPPORTED ULTRATHIN COPPER OXIDE LAYERS FROM FIRST-PRINCIPLES CALCULATIONS
T. Lee, Y. Lee, S. Piccinin, and A. Soon

112. American Physical Society (APS) March Meeting, Los Angeles, CA, USA (2018)
COMPOSITION-DEPENDENT PHASE STABILITY IN YTTRIA STABILIZED ZIRCONIA: CLUES FROM LATTICE DYNAMICS CALCULATION
J. Yun, J.-H. Lee, M. E. Kilic, and A. Soon

111. American Physical Society (APS) March Meeting, Los Angeles, CA, USA (2018)
EXPLORING ENVIRONMENT-DEPENDENT SHAPE EVOLUTION IN Bi2Se3 NANO-CRYSTALLITES: A FIRST-PRINCIPLES THERMODYNAMICS APPROACH
J. Lee and A. Soon

110. American Physical Society (APS) March Meeting, Los Angeles, CA, USA (2018)
EXPLORING POLYMORPHISM IN HIGH-VALENT TANTALUM TRIOXIDES
Y. Lee, U. Kim, Y. Lee, T. Lee, and A. Soon

109. American Physical Society (APS) March Meeting, Los Angeles, CA, USA (2018)
LATTICE DYNAMICS OF POLYMORPHIC ZnIn2S4: AN AB INITIO STUDY
J. Lee, W. Jang, T. Lee, and A. Soon

2017

108. 4th International Conference on Advanced Electromaterials (ICAE 2017), Jeju, Republic of Korea (2017)
PLAYING WITH PHOSPHORENE ORIGAMI: FROM REMARKABLY LOW-ENERGY LINE DEFECTS TO TWISTED NANORIBBONS
W. Jang, K. Kang, and A. Soon (Invited)

107. Korean Ceramic Society Fall Meeting, COEX Seoul, Republic of Korea (2017)
EXPLORING POLYMORPHISM IN HIGH-VALENT TANTALUM TRIOXIDES
Y. Lee, U. Kim, Y. Lee, T. Lee, and A. Soon

106. Korean Ceramic Society Fall Meeting, COEX Seoul, Republic of Korea (2017)
ALIGNING THE BAND STRUCTURES OF POLYMORPHIC MOLYBDENUM OXIDES AND ORGANIC EMITTERS IN LIGHT-EMITTING DIODES
J. Yun, W. Jang, T. Lee, Y. Lee, and A. Soon

105. Korean Ceramic Society Fall Meeting, COEX Seoul, Republic of Korea (2017)
ASSEMBLING PHOSPHORENE FLEXAGONS FOR 2D ELECTRON-DENSITY-GUIDED NANOPATTERNING AND NANOFABRICATION
W. Jang, K. Kang, and A. Soon

104. 15th International Nanotech Symposium & Nano-Convergence Expo (NANO KOREA 2017), KINTEX, Ilsan, Republic of Korea (2017)
EXPLORING THE SCIENCE (AND THE ART) OF PHOSPHORENE KIRIGAMI
W. Jang, K. Kang, and A. Soon (Invited)

103. 15th International Nanotech Symposium & Nano-Convergence Expo (NANO KOREA 2017), KINTEX, Ilsan, Republic of Korea (2017)
THE INFLUENCE OF CATION EXCHANGE IN INORGANIC LEAD-FREE HALIDE PEROVSKITE: AN AB INITIO STUDY
J.-H. Lee, Y.-K. Jung, A. Walsh, and A. Soon

102. 15th International Nanotech Symposium & Nano-Convergence Expo (NANO KOREA 2017), KINTEX, Ilsan, Republic of Korea (2017)
FIRST-PRINCIPLES THERMODYNAMICS OF THIN OXIDE STRUCTURES ON METAL SUPPORT UNDER CONTROLLED GROWTH CONDITIONS
T. Lee, Y. Lee, S. Piccinin, and A. Soon

101. 15th International Nanotech Symposium & Nano-Convergence Expo (NANO KOREA 2017), KINTEX, Ilsan, Republic of Korea (2017)
CHEMICAL TRANSFORMATION OF METALS AND CHALCOGENS: AN EXPERIMENTAL AND THEORETICAL INVESTIGATION
J. Lee, G. Park, S. Moon, H. Yang, A. Giri, J. Kwak, Y.-K. Jung, U. Jeong, and A. Soon

100. 15th International Nanotech Symposium & Nano-Convergence Expo (NANO KOREA 2017), KINTEX, Ilsan, Republic of Korea (2017)
THE ROLE OF POLYMORPHISM IN MOLYBDENUM TRIOXIDES FOR LIGHT-EMITTING DIODE APPLICATIONS
J.-M. Yun, W. Jang, T. Lee, Y. Lee, and A. Soon

99. 25th North American Catalysis Society Meeting (NAM), Denver, CO, USA (2017)
MORPHOLOGICAL CHANGES OF CATALYST MATERIALS IN REACTING CONDITIONS BY COMBINED AB-INITIO THERMODYNAMICS AND MICROKINETIC MODELING
R. Cheula, A. Soon, and M. Maestri

98. Electronic Materials and Applications (EMA 2017) Conference (SYMPOSIUM 4: Computational Design of Electronic Materials), Orlando, FL, USA (2017)
A FIRST-PRINCIPLES UNDERSTANDING OF THE STRUCTURE-PROPERTY RELATIONSHIPS IN POLYMORPHIC MoO3
J.-M. Yun, W. Jang, T. Lee, Y. Lee, and A. Soon

97. Electronic Materials and Applications (EMA 2017) Conference (SYMPOSIUM 4: Computational Design of Electronic Materials), Orlando, FL, USA (2017)
UNDERSTANDING THE ADVANTAGES OF HEXAGONAL WO3 AS AN EFFICIENT PHOTOANODE FOR SOLAR WATER SPLITTING: A FIRST-PRINCIPLES PERSPECTIVE
T. Lee, Y. Lee, W. Jang, and A. Soon (Invited)

2016

96. Korean Ceramic Society Fall Meeting, COEX Seoul, Republic of Korea (2016)
PHOSPHORENE UNDERGOES A LITTLE "NIP-AND-TUCK": FROM REMARKABLY LOW-ENERGY LINE DEFECTS TO TWISTED NANORIBBONS
A. Soon (Invited)

95. International Conference on Electronic Materials and Nanotechnology for Green Environment 2016 (ENGE 2016), Jeju, Republic of Korea (2016)
TUNING THE CHEMICAL POTENTIAL OF NON-EQUILIBRIUM SURFACE SYSTEMS: THE O/Cu/Au CASE
T. Lee, Y. Lee, S. Piccinin, and A. Soon

94. The Korean Institute of Metals and Materials (KIM) Fall Meeting, Busan, Republic of Korea (2016)
CO-ADSORPTION OF Cl AND OOH SPECIES ON Pt/TiX CATALYSIS SYSTEM: AN AB INITIO STUDY
Y.-J. Tak and A. Soon

93. Energy Materials Nanotechnology (EMN) Meeting on Computation and Theory, Las Vegas, NV, USA (2016)
IN SEARCH OF UNCONVENTIONAL ULTRATHIN METASTABLE O/Cu SURFACE OXIDES
A. Soon (Invited)

92. Energy Materials Nanotechnology (EMN) Meeting on Computation and Theory, Las Vegas, NV, USA (2016)
UNDERSTANDING THE ADVANTAGE OF HEXAGONAL WO3 AS AN EFFICIENT PHOTOANODE FOR SOLAR WATER SPLITTING: A FIRST-PRINCIPLES PERSPECTIVE
Y. Lee, T. Lee, W. Jang, and A. Soon

91. Energy Materials Nanotechnology (EMN) Meeting on Computation and Theory, Las Vegas, NV, USA (2016)
ACUTE MECHANO-ELECTRONIC RESPONSES IN TWISTED PHOSPHORENE NANORIBBONS
W. Jang, K. Kang, and A. Soon

90. American Physical Society (APS) March Meeting, Baltimore, MA, USA (2016)
REMARKABLY LOW-ENERGY ONE-DIMENSIONAL FAULT LINE DEFECTS IN SINGLE-LAYERED PHOSPHORENE
W. Jang, K. Kang, and A. Soon

89. American Physical Society (APS) March Meeting, Baltimore, MA, USA (2016)
OXIDIC COPPER ON THE Au(111) SURFACE: A THEORETICAL SURFACE SCIENCE APPROACH
T. Lee, Y. Lee, and A. Soon

88. American Physical Society (APS) March Meeting, Baltimore, MA, USA (2016)
INFLUENCE OF XC FUNCTIONAL ON THERMAL-ELASTIC PROPERTIES OF CERIA: A DFT-BASED DEBYE-GRÜNEISEN MODEL APPROACH
J.-H. Lee, Y.-J. Tak, T. Lee, and A. Soon

87. American Physical Society (APS) March Meeting, Baltimore, MA, USA (2016)
TWISTED PHOSPHORENE NANORIBBONS
W. Jang, K. Kang, and A. Soon

86. American Physical Society (APS) March Meeting, Baltimore, MA, USA (2016)
A DFT STUDY OF METASTABLE h-WO3 SURFACES
Y. Lee, T. Lee, W. Jang, and A. Soon

85. American Physical Society (APS) March Meeting, Baltimore, MA, USA (2016)
MICROFACETING OF Cu2O AND ITS IMPLICATIONS IN PHOTOCHEMISTRY
T. Lee, Y. Lee, Y. Lee, and A. Soon

2015

84. Materials Research Society (MRS) Fall Meeting, Boston, MA, USA (2015)
LOW-ENERGY ONE-DIMENSIONAL LINE DEFECTS IN SINGLE-LAYERED PHOSPHORENE: A FIRST-PRINCIPLES STUDY
W. Jang, K. Kang, and A. Soon

83. Materials Research Society (MRS) Fall Meeting, Boston, MA, USA (2015)
SURFACE OXIDE EFFECT ON THE ADSORPTION OF PMDA-ODA ON Cu(111)
J.-H Park, J.-H Lee, and A. Soon

82. 5th Psi-k (Ψk-2015) Conference, San Sebastian, Spain (2015)
INFLUENCE OF xc-FUNCTIONALS ON THE OPTO-ELECTRONIC PROPERTIES OF WO3 POLYMORPHS
Y.-H. Lee, T.-H. Lee, W. Jang, and A. Soon

81. 5th Psi-k (Ψk-2015) Conference, San Sebastian, Spain (2015)
LOW-ENERGY ONE-DIMENSIONAL LINE DEFECTS IN SINGLE-LAYERED PHOSPHORENE: A FIRST-PRINCIPLES STUDY
W. Jang, K. Kang, and A. Soon

80. 5th Psi-k (Ψk-2015) Conference, San Sebastian, Spain (2015)
A FIRST-PRINCIPLES INVESTIGATION OF Sn/Cu(001)
J.-M. Yun, J.-H. Lee, and A. Soon

79. 5th Psi-k (Ψk-2015) Conference, San Sebastian, Spain (2015)
OXYGEN ELECTROCATALYSIS ON SINGLE-ATOM Pt/TiN NANOCATALYST
Y.-J. Tak, D.-H. Lim, and A. Soon

78. Korean Institute of Chemical Engineering (KIChE) 28th Symposium on Catalysis Research (Theme: Nanocatalyst and Computational Chemistry), Yeosu, Republic of Korea (2015)
A RATIONAL DESIGN OF SINGLE-ATOM OXYGEN REDUCTION REACTION CATALYSTS USING NON-CONVENTIONAL SUPPORTS
A. Soon (Invited)

77. Korean Institute of Chemical Engineering (KIChE) 28th Symposium on Catalysis Research (Theme: Nanocatalyst and Computational Chemistry), Yeosu, Republic of Korea (2015)
OXYGEN ADSORPTION AND STABILITY OF COPPER SURFACE OXIDES ON Au(111): A FIRST-PRINCIPLES INVESTIGATION
T.-H. Lee, K.-S. Kang, J.-H. Park, and A. Soon

76. Korean Institute of Chemical Engineering (KIChE) 28th Symposium on Catalysis Research (Theme: Nanocatalyst and Computational Chemistry), Yeosu, Republic of Korea (2015)
BULK PROPERTIES OF BULK METALS: A VAN DER WAALS CORRECTED DFT STUDY
J.-H. Lee, J.-H. Lim, and A. Soon

75. The 8th Conference of the Asian Consortium on Computational Materials Science (ACCMS-8), Taipei, Taiwan (2015)
NON-CONVENTIONAL SUPPORTS FOR SINGLE-ATOM NANOCATALYSTS FOR THE OXYGEN REDUCTION REACTION
A. Soon (Invited)

74. The 8th Conference of the Asian Consortium on Computational Materials Science (ACCMS-8), Taipei, Taiwan (2015)
INFLUENCE OF NON-LOCAL VAN DER WAALS CORRECTIONS ON THE BULK AND SURFACE PROPERTIES OF PRISTINE METALS
J.-H. Lee, J.-H. Lim, and A. Soon

73. The 8th Conference of the Asian Consortium on Computational Materials Science (ACCMS-8), Taipei, Taiwan (2015)
A DENSITY-FUNCTIONAL THEORY STUDY OF THE OPTO-ELECTRONIC PROPERTIES OF POLYMORPHIC WO3
T.-H. Lee, Y.-H. Lee, W. Jang, and A. Soon

72. The 8th Conference of the Asian Consortium on Computational Materials Science (ACCMS-8), Taipei, Taiwan (2015)
A FIRST-PRINCIPLES STUDY OF THE MECHNO-THERMODYNAMICS OF SUPER-ULTRAHARD MATERIALS
Y.-H. Lee, J.-H. Lee, and A. Soon

71. American Physical Society (APS) March Meeting, San Antonio, TX, USA (2015)
RE-VISITING THE O/Cu SYSTEM - WHEN METASTABLE SURFACE OXIDES COULD BECOME AN ISSUE!
N. Richter, C.-E. Kim, C. Stampfl, and A. Soon

70. American Physical Society (APS) March Meeting, San Antonio, TX, USA (2015)
ELECTRONIC AND OPTICAL PROPERTIES OF ULTRATHIN SILICON NANOMEMBRANES: A FIRST-PRINCIPLES INVESTIGATION
W.-S. Jang, S.-H. Yoo, and A. Soon

69. American Physical Society (APS) March Meeting, San Antonio, TX, USA (2015)
INFLUENCE OF VAN DER WAALS CORRECTED XC-FUNCTIONALS ON THE ANISOTROPIC MECHANICAL PROPERTIES OF COINAGE METALS: A FIRST-PRINCIPLES APPROACH
J.-H. Lee, J.-H. Park, Y.-K. Jung, and A. Soon

68. American Physical Society (APS) March Meeting, San Antonio, TX, USA (2015)
A DFT STUDY OF OXYGEN REDUCTION REACTION ON SINGLE-ATOM PT NANOCATALYST
Y.-J. Tak, N. Richter, and A. Soon

2014

67. Conference on Electronic Materials and Nanotechnology for Green Environment 2014 (ENGE2014), Jeju, Republic of Korea (2014)
RE-VISITING THE O/Cu SYSTEM - WHEN METASTABLE SURFACE OXIDES COULD BECOME AN ISSUE!
N. Richter, C.-E. Kim, and A. Soon (Invited)

66. Conference on Electronic Materials and Nanotechnology for Green Environment 2014 (ENGE2014), Jeju, Republic of Korea (2014)
ELECTRONIC AND OPTICAL PROPERTIES OF ULTRATHIN SILICON NANOMEMBRANES: A FIRST-PRINCIPLES INVESTIGATION
W.-S. Jang, S.-H. Yoo, and A. Soon

65. Conference on Electronic Materials and Nanotechnology for Green Environment 2014 (ENGE2014), Jeju, Republic of Korea (2014)
A FIRST-PRINCIPLES DESCRIPTION OF SURFACE STRESS RESPONSES IN NANO-ELECTROCATALYSTS
J.-H. Lee, S.-H. Yoo, and A. Soon

64. Conference on Electronic Materials and Nanotechnology for Green Environment 2014 (ENGE2014), Jeju, Republic of Korea (2014)
AB INITIO THERMODYNAMICS OF Pt NANOSKINS ON TiN(100) FOR FUEL CELL TECHNOLOGIES
Y.-J. Tak, N. Richter, and A. Soon

63. 3rd International Symposium on Hybrid Materials and Processing (HyMaP 2014), Busan, Republic of Korea (2014)
LATTICE-MISMATCHED HETEROEPITAXY OF IV-VI THIN FILMS ON PbTe(001): AN AB INITIO STUDY
C.-E. Kim, Y.-J. Tak, K. T. Butler, A. Walsh, and A. Soon (Invited)

62. 3rd International Symposium on Hybrid Materials and Processing (HyMaP 2014), Busan, Republic of Korea (2014)
ULTRATHIN NANOFILMS OF MgO-SUPPORTED TiN
J.-H. Lee, B. Delley, and A. Soon

61. 17th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-17), Seoul, Republic of Korea (2014)
AB INITIO SURFACE PHASE DIAGRAM OF Sn/Cu(100)
J.-M. Yun, J.-H. Lee, and A. Soon

60. 17th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-17), Seoul, Republic of Korea (2014)
ELECTRONIC STRUCTURE AND BAND ALIGNMENT OF ZINC NITRIDE Zn3N2
S.-H. Yoo, A. Walsh, D. O. Scanlon, and A. Soon

59. 17th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-17), Seoul, Republic of Korea (2014)
AB INITIO THERMODYNAMICS OF Pt NANOSKINS ON TiN(100) FOR FUEL CELL TECHNOLOGIES
Y.-J. Tak, N. Richter, and A. Soon

58. The Korean Institute of Metals and Materials (KIM) Fall Meeting, Kangwon-Do, Republic of Korea (2014)
ELECTRONIC AND OPTICAL PROPERTIES OF ULTRATHIN SILICON NANOSHEETS: A FIRST-PRINCIPLES INVESTIGATION
W.-S. Jang, S.-H. Yoo, and A. Soon

57. The Korean Institute of Metals and Materials (KIM) Fall Meeting, Kangwon-Do, Republic of Korea (2014)
AB INITIO STUDY OF THE SURFACE PHASE DIAGRAM OF Sn/Cu(001)
J.-M. Yun, J.-H. Lee, and A. Soon

56. 3rd UK-Korea Workshop on Catalysis, The Royal Society, London, UK (2014)
A bilateral UK-Korea program on catalysis
A. Soon (Invited)

2013

55. The 8th International Conference on Advanced Materials and Devices (ICAMD 2013), Jeju, Republic of Korea (2013)
WHY BROMINE SQUARES OFF PALLADIUM? AN AB INITIO STUDY OF BROMINATED PALLADIUM AND ITS NANOMORPHOLOGY
S.-H. Yoo, J.-H. Lee, B. Delley, and A. Soon (Invited)

54. The 8th International Conference on Advanced Materials and Devices (ICAMD 2013), Jeju, Republic of Korea (2013)
ELECTRONIC STRUCTURE AND BAND ALIGNMENT OF ZINC NITRIDE Zn3N2
S.-H. Yoo, A. Walsh, D. O. Scanlon, and A. Soon

53. Materials Research Society (MRS) Fall Meeting, Boston, MA, USA (2013)
A FIRST-PRINCIPLES STUDY ON THE CRYSTALLINE AND AMORPHOUS PHASES OF ANTIMONY OXIDE
C.-E. Kim and A. Soon

52. Electronic Materials and Nanotechnology for Green Environment (ENGE 2013), GwangJu, Republic of Korea (2013)
WHY BROMINE SQUARES OFF PALLADIUM? AN AB INITIO STUDY OF BROMINATED PALLADIUM AND ITS NANOMORPHOLOGY
S.-H. Yoo, J.-H. Lee, B. Delley, and A. Soon

51. Korean Institute of Metals and Materials (KIMS) Fall Meeting, GwangJu, Republic of Korea (2013)
A FIRST-PRINCIPLES STUDY ON SbxOy CRYSTALLINE AND AMORPHOUS PHASE
C.-E. Kim , S.-H. Yoo, and A. Soon

50. Korean Institute of Metals and Materials (KIMS) Fall Meeting, GwangJu, Republic of Korea (2013)
ELECTRONIC STRUCTURE AND BAND ALIGNMENT OF ZINC NITRIDE Zn3N2
S.-H. Yoo, A. Walsh, D. O. Scanlon, and A. Soon

49. Korean Ceramic Society Fall Meeting, Jeju, Republic of Korea (2013)
AB INITIO SURFACE PHASE DIAGRAM OF Sn/Cu(001)
J.-M. Yun, J.-H. Lee, and A. Soon

48. Korean Ceramic Society Fall Meeting, Jeju, Republic of Korea (2013)
ULTRATHIN NANOFILMS OF MgO-SUPPORTED TiN
J.-H. Lee, B. Delley, and A. Soon

47. Korean Ceramic Society Fall Meeting, Jeju, Republic of Korea (2013)
ELECTRONIC STRUCTURE AND BAND ALIGNMENT OF ZINC NITRIDE, Zn3N2
S.-H. Yoo, A. Walsh, D. O. Scanlon, and A. Soon (Invited)

46. 9th World Congress of Chemical Engineering (WCCE9), Seoul, Republic of Korea (2013)
MITIGATION OF CO POISONING: THE ROLE OF NON-CONVENTIONAL SUPPORTS FOR SINGLE-ATOM PLATINIUM CATALYSTS IN FUEL CELL TECHNOLOGY
A. Soon

45. 9th KIAS Electronic Structure Workshop, Seoul, Republic of Korea (2013)
A FIRST-PRINCIPLES STUDY ON SbxOy POLYMORPHS
C.-E. Kim and A. Soon

44. Korean Institute of Metals and Materials (KIMS) Spring Meeting, Yeosu, Republic of Korea (2013)
A FIRST-PRINCIPLES STUDY ON SbxOy POLYMORPHS
C.-E. Kim and A. Soon

2012

43. 2012 International Conference on Renewable Energy and Policy, Taipei, Taiwan (2012)
A. Soon (Invited Alexander von Humboldt conferee)

42. 15th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-15), Institute of Atomic and Molecular Sciences, Academia Sinica, Taipei, Taiwan (2012)
A. Soon, S.-H. Yoo, and J.-H. Lee

41. Korean Institute of Metals and Materials (KIMS) Fall Meeting, KIM-JIM Symposium, Changwon, Republic of Korea (2012)
ENVIRONMENT-DEPENDENT NANOMORPHOLOGY
A. Soon (Invited)

40. The International Union of Materials Research Societies (IUMRS) -  International Conference on Electronic Materials (ICEM), Yokohama, Japan (2012)
SURFACE CARBIDIC STRUCTURES ON NICKEL NANOCRYSTALS
R. Zhao, C. Li, and A. Soon

39. 244th American Chemical Society (ACS) Fall Meeting, Philadelphia, USA (2012)
THE ROLE OF NON-CONVENTIONAL SUPPORTS FOR SINGLE-ATOM PLATINUM-BASED CATALYSTS IN FUEL CELL TECHNOLOGY: A THEORETICAL SURFACE SCIENCE APPROACH
A. Soon, R. Q. Zhang, and C. Stampfl

38. Steel Science Forum, Pohang, Republic of Korea (2012)
THE AUSTENITE/ε-MARTENSITE INTERFACE: A FIRST-PRINCIPLES INVESTIGATION
S.-J. Lee, Y.-K. Lee, and A. Soon

37. The International Union of Materials Research Societies (IUMRS) - International Conference of Young Researchers on Advanced Materials (ICYRAM), Singapore (2012)
A. Soon (Invited panelist, Global Materials Network networking session)

36. 8th KIAS Electronic Structure Workshop, Seoul, Republic of Korea (2012)
MITIGATION OF CO POISONING ON FUNCTIONALIZED Pt1/TiN SURFACES
A. Soon (Invited)

35. Korean Ceramic Society Spring Meeting, Daeju, Republic of Korea (2012)
THE ROLE OF NON-CONVENTIONAL CERAMIC SUPPORTS FOR FUEL CELL TECHNOLOGY
A. Soon (Invited)

34. American Physical Society (APS) March Meeting, Boston, MA, USA (2012)
INFLUENCE OF XC FUNCTIONAL ON THERMAL-ELASTIC PROPERTIES OF METAL OXIDES: A DFT-BASED DEBYE-GRÜNEISEN MODEL APPROACH
T.-H. Lee, and A. Soon

33. American Physical Society (APS) March Meeting, Boston, MA, USA (2012)
THE ROLE OF NON-CONVENTIONAL SUPPORTS FOR SINGLE-ATOM PLATINUM-BASED CATALYSTS IN FUEL CELL TECHNOLOGY: A THEORETICAL SURFACE SCIENCE APPROACH
R. Q. Zhang, and A. Soon

2011

32. Korean Institute of Metals and Materials (KIMS) Fall Meeting, Daejeon, Republic of Korea (2011)
INFLUENCE OF XC FUNCTIONAL ON THERMAL-ELASTIC PROPERTIES OF CERIA: A DFT-BASED DEBYE-GRÜNEISEN MODEL APPROACH
T.-H. Lee, R.-Q. Zhang, and A. Soon

31. Korean Institute of Metals and Materials (KIMS) Fall Meeting, Daejeon, Republic of Korea (2011)
SURFACE CARBIDIC STRUCTURES ON Ni(001): A THEORETICAL SURFACE SCIENCE APPROACH
R.-B. Zhao, C. Li, and A. Soon

30. The 6th Conference of the Asian Consortium on Computational Materials Science (ACCMS-6), Biopolis, Singapore (2011)
A FIRST-PRINCIPLES MORPHOLOGICAL STUDY OF TIN NANOCRYSTALLITES: INFLUENCE OF SURFACE DEFECTS AND GROWTH ENVIRONMENT
T.-H. Lee, B. Delley, C. Stampfl and A. Soon

29. The 6th Conference of the Asian Consortium on Computational Materials Science (ACCMS-6), Biopolis, Singapore (2011)
THE ROLE OF NON-CONVENTIONAL SUPPORTS FOR SINGLE-ATOM PLATINUM-BASED CATALYSTS IN FUEL CELL TECHNOLOGY: A THEORETICAL SURFACE SCIENCE APPROACH
C.-E. Kim, B. Delley, C. Stampfl, and A. Soon (Invited)

28. NANO KOREA 2011, The 9th International Nanotech Symposium & Exhibition, KINTEX, Republic of Korea (2011)
A FIRST-PRINCIPLES MORPHOLOGICAL STUDY OF TIN NANOCRYSTALLITES: INFLUENCE OF SURFACE DEFECTS AND GROWTH ENVIRONMENT
T.-H. Lee, B. Delley, C. Stampfl and A. Soon

27. NANO KOREA 2011, The 9th International Nanotech Symposium & Exhibition, KINTEX, Republic of Korea (2011)
ENVIRONMENT-DEPENDENT MORPHOLOGY OF NANOCRYSTALLITES FROM FIRST-PRINCIPLES
A. Soon

26. Korean Institute of Metals and Materials (KIMS) Spring Meeting, Republic of Korea (2011)
INTERFACIAL PROPERTIES OF AUSTENITE (111)/ε-MARTENSITE (0001): A FIRST-PRINCIPLES INVESTIGATION
S.-J. Lee, Y.-K. Lee, and A. Soon

25. The 4th Cross-Strait Theoretical and Computational Chemistry Conference (CTCC-4), Kinmen, Taiwan (2011)
NANOPARTICLES SHAPE UP! – FIRST-PRINCIPLES NANOMORPHOLOGY
A. Soon (Invited)

2010

24. Korean Institute of Metals and Materials (KIMS) Fall Meeting, Changwon, Republic of Korea (2010)
UNDERSTANDING SURFACE NANOSTRUCTURES: AN AB INITIO THERMODYNAMIC APPROACH
A. Soon (Invited)

23. Korean Institute of Metals and Materials (KIMS) Fall Meeting, Changwon, Republic of Korea (2010)
ULTRATHIN NANOFILMS OF MgO-SUPPORTED TiN: A FIRST-PRINCIPLES INVESTIGATION
C.-E. Kim, B. Delley, C. Stampfl, and A. Soon

22. Korean Institute of Metals and Materials (KIMS) Fall Meeting, Changwon, Republic of Korea (2010)
POLYMORPHIC PHASE STABILITY IN THIN NANOFILMS: AN AB INITIO THERMODYNAMICS CONSIDERATION
Y.-D. Kim, C. Stampfl, and A. Soon

21. 13th Asian Workshop on First-Principles Electronic Structure Calculations (Asian13), Pohang, Republic of Korea (2010)
UNDERSTANDING SURFACE NANOSTRUCTURES TO BULK DEFECTS: AN AB INITIO THERMODYNAMIC APPROACH
A. Soon (Invited)

20. 13th Asian Workshop on First-Principles Electronic Structure Calculations (Asian13), Pohang, Republic of Korea (2010)
ULTRATHIN NANOFILMS OF MgO-SUPPORTED TiN: A FIRST-PRINCIPLES INVESTIGATION
C.-E. Kim, B. Delley, C. Stampfl, and A. Soon

19. 13th Asian Workshop on First-Principles Electronic Structure Calculations (Asian13), Pohang, Republic of Korea (2010)
INTERFACIAL PROPERTIES OF AUSTENITE (111)/ε-MARTENSITE (0001): A FIRST-PRINCIPLES INVESTIGATION
S.-J. Lee, J. Park, Y.-K. Lee, and A. Soon

18. International Union of Materials Research Societies - International Conference on Electronic Materials 2010 (IUMRS-ICEM2010), Seoul, Republic of Korea (2010)
UNDERSTANDING SURFACE NANOSTRUCTURES TO BULK DEFECTS: AN AB INITIO THERMODYNAMIC APPROACH
A. Soon

17. 30th International Conference on the Physics of Semiconductors (ICPS-30), Seoul, Republic of Korea (2010)
UNDERSTANDING CRYSTAL MORPHOLOGY FOR NANOTEMPLATING: A FIRST-PRINCIPLES INVESTIGATION OF THE N/Cu SYSTEM
A. Soon, B. Delley and C. Stampfl

2009

16. Nanostructures at Surfaces: International Conference, Monte Verita, Ascona, Switzerland (2009)
BULK AND SURFACE ENERGIES OF TRANSITION METALS IN DENSITY-FUNCTIONAL THEORY AND BEYOND
A. Soon, M. Fuchs, B. Li, and M. Scheffler

15. Catalysis From 1st Principles (CAT1P), Psi-k Network, Vienna, Austria (2009)
UNDERSTANDING SURFACE ENERGIES OF TRANSITION METALS IN DENSITY-FUNCTIONAL THEORY AND BEYOND
A. Soon, M. Fuchs, B. Li, and M. Scheffler

14. Deutschen Physikalischen Gesellschaft (DPG) Meeting, Dresden, Germany (2009)
UNDERSTANDING SURFACE ENERGIES OF TRANSITION METALS WITH DENSITY-FUNCTIONAL THEORY
A. Soon, M. Fuchs, B. Li, and M. Scheffler

13. Deutschen Physikalischen Gesellschaft (DPG) Meeting, Dresden, Germany (2009)
MULTIFARIOUS-MAGNETISM IN COPPER OXIDE NANOSTRUCTURES FROM FIRST-PRINCIPLES
A. Soon, X.-Y. Cui, B. Delley, S.-H. Wei, and C. Stampfl

12. American Physical Society (APS) March Meeting, Pittsburgh, PA, USA (2009)
UNDERSTANDING SURFACE ENERGIES OF TRANSITION METALS WITH DENSITY-FUNCTIONAL THEORY
A. Soon, M. Fuchs, B. Li, and M. Scheffler

11. American Physical Society (APS) March Meeting, Pittsburgh, PA, USA (2009)
MULTIFARIOUS-MAGNETISM IN COPPER OXIDE NANOSTRUCTURES FROM FIRST-PRINCIPLES
A. Soon, X.-Y. Cui, B. Delley, S.-H. Wei, and C. Stampfl

2008

10. 8th Triennial Congress of the World Association of Theoretical and Computational Chemists, WATOC, Sydney, Australia (2008)
MULTIFARIOUS-MAGNETISM IN COPPER OXIDE NANOSTRUCTURES FROM FIRST-PRINCIPLES
A. Soon, X.-Y. Cui, B. Delley, S.-H. Wei, and C. Stampfl

9. IUMRS-ICEM: International Conference on Electronic Materials, Sydney, Australia (2008)
UNDERSTANDING CRYSTAL MORPHOLOGY FOR NANOTEMPLATING: AN AB INITIO THERMODYNAMIC STUDY OF THE N/Cu SYSTEM
A. Soon, L. Wong, B. Delley, and C. Stampfl

2007

8. 14th WIEN2K Workshop, Singapore (2007)
AB INITIO SURFACE PHASE DIAGRAM: AN ATTEMPT TO BRIDGE THE "PRESSURE GAP" IN SURFACE SCIENCE
A. Soon (Selected oral presentation)
NITROGEN ADSORPTION AND THIN SURFACE NITRIDES ON COPPER SURFACES FROM FIRST-PRINCIPLES
A. Soon, L. Wong, M. Lee, M. Todorova, B. Delley, and C. Stampfl

7. International Conference on Materials for Advanced Technology (ICMAT), Singapore (2007)
CATALYSIS AT THE SUB-NANO SCALE: CHARACTERIZING THE COPPER-BASED CATALYST FOR THE WATER-GAS SHIFT REACTION
A. Soon, M. Todorova, B. Delley, and C. Stampfl

6. American Physical Society (APS) March Meeting, Denver, CO, USA (2007)
CHARACTERIZING THE COPPER-BASED CATALYST FOR THE OXYGEN-ASSISTED WATER-GAS SHIFT REACTION AT THE SUB-NANO SCALE
A. Soon, M. Todorova, B. Delley, and C. Stampfl

2006

5. Australian Institute of Physics (AIP): Physics in Industry Day, NSW, Sydney, Australia (2006)
CATALYSIS AT THE SUB-NANO SCALE: CHARACTERIZING THE COPPER-BASED CATALYST FOR THE WATER-GAS SHIFT REACTION
A. Soon, M. Todorova, B. Delley and C. Stampfl (Awarded 1st in the NSW AIP Physics in Industry Student Prize)

4. American Physical Society (APS) March Meeting, Baltimore, MD, USA (2006)
INVESTIGATING THE FUNCTION OF COPPER-BASED CATALYSTS: THE OXYGEN-COPPER INTERACTION
A. Soon, M. Todorova, B. Delley and C. Stampfl

3. 30th Annual Condensed Matter and Materials Meeting, Wagga Wagga, Australia, (2006)
INVESTIGATING THE FUNCTION OF COPPER-BASED CATALYSTS: THE OXYGEN-COPPER INTERACTION
A. Soon, M. Todorova, B. Delley and C. Stampfl (Awarded 1st in the Oral Presentation Student Prize)

2005

2. 3rd Psi-K Conference 2005, Schwabisch Gmund, Germany (2005)
INVESTIGATING THE FUNCTION OF COPPER-BASED CATALYSTS: THE OXYGEN-COPPER INTERACTION
A. Soon, M. Todorova, B. Delley and C. Stampfl

2004

1. 51st American Vacuum Society (AVS) International Symposium, Anahiem, CA USA (2004)
CO COUPLING REACTION ON UO2 (111) SINGLE CRYSTAL SURFACE: AN EXPERIMENTAL AND THEORETICAL STUDY
S. D. Senanayake, A. Soon and H. Idriss