Showing results 122 to 181 of 215
Lattice Convolutional Neural Network Modeling of Adsorbate Coverage Effects Lym, Jonathan; Gu, Geun Ho; Jung, Yousung; Vlachos, Dionisios G., JOURNAL OF PHYSICAL CHEMISTRY C, v.123, no.31, pp.18951 - 18959, 2019-08 |
Local intermolecular interactions for selective CO2 capture by zeolitic imidazole frameworks: energy decomposition analysis Park, Ji Young; Lee, Yoon Sup; Jung, Yousung, JOURNAL OF NANOPARTICLE RESEARCH, v.14, no.4, 2012-04 |
Low-Dimensional Confined Ice Has the Electronic Signature of Liquid Water Yun, Yong-Hwan; Khaliullin, Rustam Z.; Jung, Yousung, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.10, no.8, pp.2008 - 2016, 2019-04 |
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 |
Machine learning approaches to the configuration energies and chemisorption models in solids Jung, Yousung, Machine Learning for Energy Materials Discovery, MIT, 2017-05-30 |
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 |
Machine learning approaches to the configuration energies and chemisorption models in solids Jung, Yousung, 대한화학회 제 118회 총회 및 학술발표회, 대한화학회, 2016-10-13 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
Molecular Dynamics Analysis of Water Confined in or Flowing through Nanopores of Graphitic Materials Jung, Yousung, 제21회 나노튜브 연구회, 나노튜브 연구회, 2016-07-19 |
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 |
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 |
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 |
Mollet-Plesset perturbation theory in Q-CHEM Jung, Yousung, Symposium of Computational Science, POSTECH, 2009-11-21 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
Practices and Outcomes of Korean Leading Universities on Convergence Research and Education Jung, Yousung, 2016 International Symposium on Convergence Technologies, 차세대융합기술연구원, 2016-11-25 |
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 |
Predictive Chemistry and Materials Science by Density Functional Theory: Accelerating New Discovery Jung, Yousung, Q-Chem Developer Meeting, University of Pennsylvania, 2012-08-18 |
Predictive Simulations for Molecules and Materials: Theory, Algorithms, and Applications Jung, Yousung, Samsung Advanced Institute of Technology, Samsung, 2012-08-14 |
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 |
Protruding interfacial OH groups and on-water heterogeneous catalysis Jung, Yousung; Marcus, RA, JOURNAL OF PHYSICS-CONDENSED MATTER, v.22, no.28, 2010-07 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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 |
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