Browse "Graduate school of EEWS(EEWS대학원)" by Author Jung, Yousung

Showing results 125 to 184 of 215

125
Machine learning approaches for materials discovery: Predictive and generative models

Jung, Yousung, Telluride Workshop Machine Learning and Informatics for Chemistry and Materials, Telluride Science Research Center, 2018-10-01

126
Machine learning approaches to the configuration energies and chemisorption models in solids

Jung, Yousung, Machine Learning for Energy Materials Discovery, MIT, 2017-05-30

127
Machine learning approaches to the configuration energies and chemisorption models in solids

Jung, Yousung, IPAM(Institute for Pure & Applied mathematics)Workshop I: Machine Learning Meets Many-Particle Problems, ipam, 2016-09-26

128
Machine learning approaches to the configuration energies and chemisorption models in solids

Jung, Yousung, 대한화학회 제 118회 총회 및 학술발표회, 대한화학회, 2016-10-13

129
Machine Learning Approaches to the Configuration Energies and Chemisorption Models in Solids

Jung, Yousung, 2017 Symposium for the Promotion of Applied Research Collaboration in Asia, Asia Pacific Society for Materials Science (APSMR), 2017-02-26

130
Machine learning for renewable energy materials

Gu, Geun Ho; Noh, Juhwan; Kim, Inkyung; Jung, Yousung, JOURNAL OF MATERIALS CHEMISTRY A, v.7, no.29, pp.17096 - 17117, 2019-08

131
Materials Discovery using Computational and Data-Driven Approaches

Jung, Yousung, APATCC 2019(the Ninth Conference of the Asia-Pacific Association of Theoretical and Computational Chemists), APATCC 2019, 2019-10-01

132
Mechanistic Study on C-C Bond Formation of a Nickel(1) Monocarbonyl Species with Alkyl Iodides: Experimental and Computational Investigations

Yoo, Changho; Ajitha, Manjaly J.; Jung, Yousung; Lee, Yunho, ORGANOMETALLICS, v.34, no.17, pp.4305 - 4311, 2015-09

133
Microscopic structure and dynamics of air/water interface by computer simulations-comparison with sum-frequency generation experiments

Wang, YT; Hodas, NO; Jung, Yousung; Marcus, RA, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.13, no.12, pp.5388 - 5393, 2011-03

134
Mixed Transition Metal Oxide with Vacancy-Induced Lattice Distortion for Enhanced Catalytic Activity of Oxygen Evolution Reaction

Lee, Hyeon Jeong; Back, Seoin; Lee, Ji Hoon; Choi, Sun Hee; Jung, Yousung; Choi, Jang Wook, ACS CATALYSIS, v.9, no.8, pp.7099 - 7108, 2019-08

135
Modulating the magnetic behavior of Fe(II)-MOF-74 by the high electron affinity of the guest molecule

Han, Sungmin; Kim, Heejin; Kim, Jaehoon; Jung, Yousung, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.17, no.26, pp.16977 - 16982, 2015-07

136
Molecular Dynamic Analysis of water confined in or flowing through nanopore of graphitic materials

Jung, Yousung, Korea University/ KAIST/ ETH Zurich Colloquium, 고려대학교, 2016-07-04

137
Molecular Dynamics Analysis of Water Confined in or Flowing through Nanopores of Graphitic Materials

Jung, Yousung, 2017 Korea-Canada Science and Technology Forum, Ministry of Science and ICT/Government of Canada, 2017-08-07

138
Molecular Dynamics Analysis of Water Confined in or Flowing through Nanopores of Graphitic Materials

Jung, Yousung, 2016 MRS Spring Meeting&Exhibit, Materials Research Society, 2016-03-30

139
Molecular Dynamics Analysis of Water Confined in or Flowing through Nanopores of Graphitic Materials

Jung, Yousung, 제21회 나노튜브 연구회, 나노튜브 연구회, 2016-07-19

140
Molecular Dynamics Analysis of Water Confined in or Flowing through Nanopores of Graphitic Materials

Jung, Yousung, Colloquium and Workshop on Carbon Nanofluidics, ETH Zurich, 2016-05-19

141
Molecular dynamics simulations for thermal transport behavior of InAs nanotubes: A role of symmetry

Yi, Suin; Kim, In; Pascal, Tod A.; Jung, Yousung, COMPUTATIONAL MATERIALS SCIENCE, v.70, pp.8 - 12, 2013-04

142
Molecular dynamics study of water permeability in graphene oxide membrane = 산화 그래핀 분리막의 물 투과 특성에 대한 분자동역학 연구link

Jang, Ji-Don; Jung, Yousung; et al, 한국과학기술원, 2018

143
Mollet-Plesset perturbation theory in Q-CHEM

Jung, Yousung, Symposium of Computational Science, POSTECH, 2009-11-21

144
Multilayer Two-Dimensional Water Structure Confined in MoS2

Kwac, Kijeong; Kim, In; Pascal, Tod A.; Goddard, William K.; Park, Hyung Gyu; Jung, Yousung, JOURNAL OF PHYSICAL CHEMISTRY C, v.121, no.29, pp.16021 - 16028, 2017-07

145
Na2FeP2O7 as a Promising Iron-Based Pyrophosphate Cathode for Sodium Rechargeable Batteries: A Combined Experimental and Theoretical Study

Kim, Heejin; Shakoor, R. A.; Park, Chansun; Lim, Soo Yeon; Kim, Joo-Seong; Jo, Yong Nam; Cho, Woosuk; et al, ADVANCED FUNCTIONAL MATERIALS, v.23, no.9, pp.1147 - 1155, 2013-03

146
Nanostructuring one-dimensional and amorphous lithium peroxide for high round-trip efficiency in lithium-oxygen batteries

Dutta, Arghya; Wong, Raymond A.; Park, Woonghyeon; Yamanaka, Keisuke; Ohta, Toshiaki; Jung, Yousung; Byon, Hye Ryung, Nature Communications, v.9, pp.680, 2018-02

147
New Insights into the Structure of the Vapor/Water Interface from Large-Scale First-Principles Simulations

Kuhne, TD; Pascal, TA; Kaxiras, E; Jung, Yousung, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.2, no.2, pp.105 - 113, 2011-01

148
Nitrogen Fixation by Ru Single-Atom Electrocatalytic Reduction

Tao, Hengcong; Choi, Changhyeok; Ding, Liang-Xin; Jiang, Zheng; Hang, Zishan; Jia, Mingwen; Fan, Qun; et al, CHEM, v.5, no.1, pp.204 - 214, 2019-01

149
Observation of the wrapping mechanism in amine carbon dioxide molecular interactions on heterogeneous sorbents

Thirion, Damien; Rozyyev, Vepa; Park, Joonho; Byun, J; Jung, Yousung; Atilhan, M; Yavuz, Cafer T, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.18, no.21, pp.14177 - 14181, 2016-06

150
On the absolute thermodynamics of water from computer simulations: A comparison of first-principles molecular dynamics, reactive and empirical force fields

Pascal, Tod A.; Schaerf, Daniel; Jung, Yousung; Kuehne, Thomas D., JOURNAL OF CHEMICAL PHYSICS, v.137, no.24, 2012-12

151
On the mechanism of electrochemical ammonia synthesis on the Ru catalyst

Back, Seoin; Jung, Yousung, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.18, no.13, pp.9161 - 9166, 2016-04

152
On the mechanism of high product selectivity for HCOOH using Pb in CO2 electroreduction

Back, Seoin; Kim, Jun-Hyuk; Kim, Yong-Tae; Jung, Yousung, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.18, no.14, pp.9652 - 9657, 2016-04

153
On the optimal symmetric purification scheme of the one-particle density matrix

Kim, J; Jung, Yousung, CHEMICAL PHYSICS LETTERS, v.511, no.1-3, pp.159 - 160, 2011-07

154
On the structure of Si(100) surface: Importance of higher order correlations for buckled dimer

Back, Seoin; Schmidt, Johan A.; Ji, Hyunjun; Heo, Jiyoung; Shao, Yihan; Jung, Yousung, JOURNAL OF CHEMICAL PHYSICS, v.138, no.20, 2013-05

155
On the theory of organic catalysis on water

Jung, Yousung; Marcus, RA, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.129, no.17, pp.5492 - 5502, 2007-05

156
One dimensional building blocks for molecular separation: laminated graphitic nanoribbons

Kim, Dae Woo; Kim, In; Jang, Jidon; Nam, Yoon Tae; Park, Kangho; Kwon, Kiok; Cho, Kyoung Min; et al, NANOSCALE, v.9, no.48, pp.19114 - 19123, 2017-12

157
Optimal Activation of Porous Carbon for High Performance CO2 Capture

Lee, Ji Hoon; Kwac, Kijeong; Lee, Hyeon Jeong; Lim, Soo Yeon; Jung, Dae Soo; Jung, Yousung; Choi, Jang Wook, CHEMNANOMAT, v.2, no.6, pp.528 - 533, 2016-06

158
Ordered Supramolecular Gels Based on Graphene Oxide and Tetracationic Cyclophanes

Srinivasan, Sampath; Je, Sang Hyun; Back, Seoin; Barin, Gokhan; Buyukcakir, Onur; Guliyev, Ruslan; Jung, Yousung; et al, ADVANCED MATERIALS, v.26, no.17, pp.2725 - 2729, 2014-05

159
Origin of Selective Guest-Induced Magnetism Transition in Fe/MOF-74

Park, Joonho; Kim, Heejin; Jung, Yousung, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.4, no.15, pp.2530 - 2534, 2013-08

160
Origin of unusual spinel-to-layered phase transformation by crystal water

Yang, Eunjeong; Kim, Heejin; Kim, Sangryun; Kim, In; Kim, Jaehoon; Ji, Hyunjun; Choi, Jang Wook; et al, CHEMICAL SCIENCE, v.9, no.2, pp.433 - 438, 2018-01

161
Oxygen vacancy enables electrochemical N-2 fixation over WO3 with tailored structure

Sun, Zhenyu; Huo, Rupeng; Choi, Changhyeok; Hong, Song; Wu, Tai-Sing; Qiu, Jieshan; Yan, Chao; et al, NANO ENERGY, v.62, pp.869 - 875, 2019-08

162
pH-Dependent Conformations for Hyperbranched Poly(ethylenimine) from All-Atom Molecular Dynamics

Kim, In; Pascal, Tod A.; Park, Seong-Jik; Diallo, Mamadou S; Goddard, William A., III; Jung, Yousung, MACROMOLECULES, v.51, no.6, pp.2187 - 2194, 2018-03

163
Phenol-benzene complexation dynamics: Quantum chemistry calculation, molecular dynamics simulations, and two dimensional IR spectroscopy

Kwac, K; Lee, C; Jung, Yousung; Han, J; Kwak, K; Zheng, JR; Fayer, MD; et al, JOURNAL OF CHEMICAL PHYSICS, v.125, no.24, 2006-12

164
Polyselenide Anchoring Using Transition-Metal Disulfides for Enhanced Lithium-Selenium Batteries

Choi, Dong Shin; Yeom, Min Sun; Kim, Yong-Tae; Kim, Heejin; Jung, Yousung, INORGANIC CHEMISTRY, v.57, no.4, pp.2149 - 2156, 2018-02

165
Porous cationic polymers: the impact of counteranions and charges on CO2 capture and conversion

Buyukcakir, Onur; Je, Sang Hyun; Choi, Dong Shin; Talapaneni, Siddulu Naiudu; Seo, Yongbeom; Jung, Yousung; Polychronopoulou, Kyriaki; et al, CHEMICAL COMMUNICATIONS, v.52, no.5, pp.934 - 937, 2016-01

166
Practices and Outcomes of Korean Leading Universities on Convergence Research and Education

Jung, Yousung, 2016 International Symposium on Convergence Technologies, 차세대융합기술연구원, 2016-11-25

167
Predictions of the sulfur and carbon kinetic isotope effects in the OH plus OCS reaction

Schmidt, J. A.; Johnson, M. S.; Jung, Yousung; Danielache, S. O.; Hattori, S.; Yoshida, N., CHEMICAL PHYSICS LETTERS, v.531, pp.64 - 69, 2012-04

168
Predictive Chemistry and Materials Science by Density Functional Theory: Accelerating New Discovery

Jung, Yousung, Q-Chem Developer Meeting, University of Pennsylvania, 2012-08-18

169
Predictive Simulations for Molecules and Materials: Theory, Algorithms, and Applications

Jung, Yousung, Samsung Advanced Institute of Technology, Samsung, 2012-08-14

170
Probing surface oxide formations on SiO2-supported platinum nanocatalysts under CO oxidation

Oh, Sunyoung; Back, Seoin; Doh, Won Hui; Moon, Song Yi; Kim, Jeongjin; Jung, Yousung; Park, Jeong Young, RSC ADVANCES, v.7, no.71, pp.45003 - 45009, 2017

171
Protruding interfacial OH groups and on-water heterogeneous catalysis

Jung, Yousung; Marcus, RA, JOURNAL OF PHYSICS-CONDENSED MATTER, v.22, no.28, 2010-07

172
Reply to Comment on On the optimal symmetric purification scheme of the one-particle density matrix

Kim, Jaehoon; Jung, Yousung, CHEMICAL PHYSICS LETTERS, v.527, pp.86 - 88, 2012-02

173
Revealing the Role of Oxygen Debris and Functional Groups on the Water Flux and Molecular Separation of Graphene Oxide Membrane: A Combined Experimental and Theoretical Study

Kim, Dae Woo; Jang, Jidon; Kim, In; Nam, Yoon Tae; Jung, Yousung; Jung, Hee-Tae, JOURNAL OF PHYSICAL CHEMISTRY C, v.122, no.30, pp.17507 - 17517, 2018-08

174
Role of intermediate phase for stable cycling of Na7V4(P2O7)(4)PO4 in sodium ion battery

Lim, Soo Yeon; Kim, Hee Jin; Chung, Jaehoon; Lee, Ji Hoon; Kim, Byung Gon; Choi, Jeon-Jin; Chung, Kyung Yoon; et al, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.111, no.2, pp.599 - 604, 2014-01

175
Rollover Cyclometalation Pathway in Rhodium Catalysis: Dramatic NHC Effects in the C-H Bond Functionalization

Kwak, Jaesung; Ohk, Youhwa; Jung, Yousung; Chang, Sukbok, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.134, no.42, pp.17778 - 17788, 2012-10

176
Scaled opposite spin second order Moller-Plesset theory with improved physical description of long-range dispersion interactions

Lochan, RC; Jung, Yousung; Head-Gordon, M, JOURNAL OF PHYSICAL CHEMISTRY A, v.109, no.33, pp.7598 - 7605, 2005-08

177
Scaled opposite-spin second order Moller-Plesset correlation energy: An economical electronic structure method

Jung, Yousung; Lochan, RC; Dutoi, AD; Head-Gordon, M, JOURNAL OF CHEMICAL PHYSICS, v.121, no.20, pp.9793 - 9802, 2004-11

178
Selective nitrogen capture by porous hybrid materials containing accessible transition metal ion sites

Yoon, Ji Woong; Chang, Hyunju; Lee, Seung-Joon; Hwang, Young Kyu; Hong, Do-Young; Lee, Su-Kyung; Lee, Ji Sun; et al, NATURE MATERIALS, v.16, no.5, pp.526 - +, 2017-05

179
Single-atom catalysts for CO2 electroreduction with significant activity and selectivity improvements

Back, Seoin; Lim, Juhyung; Kim, Na Young; Kim, Yong-Hyun; Jung, Yousung, CHEMICAL SCIENCE, v.8, no.2, pp.1090 - 1096, 2017-08

180
Size effect of RhPt bimetallic nanoparticles in catalytic activity of CO oxidation: Role of surface segregation

Park, JeongYoung; Zhang, Y; Joo, SH; Jung, Yousung; Somorjai, GA, CATALYSIS TODAY, v.181, no.1, pp.133 - 137, 2012-02

181
Small molecule activation using computational catalysis and data-driven approaches

Jung, Yousung, The 11th International Conference and Exhibition on Chemistry in Industry “Breakthrough Solutions through Innovative Materials”, ChemIndix, 2019-10-29

182
Small Molecule Activation Using Computational Catalysis and Machine Learning

Jung, Yousung, Koc University-Korea joint research symposium 2018, Koc University, 2018-12-06

183
Small Molecule Activation Using Computational Catalysis and Machine Learning

Jung, Yousung, The 16th International Congress of Quantum Chemistry (ICQC), International Academy of Quantum Molecular Science (IAQMS), 2018-06-22

184
Solid State Materials Discovery Using Computational and Data-Driven Approaches

Jung, Yousung, 2019 MRS Fall Meeting & Exhbit, Material Research Society, 2019-12-02

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