Showing results 113 to 172 of 215
Importance of Ligand Effects Breaking the Scaling Relation for Core-Shell Oxygen Reduction Catalysts Back, Seoin; Jung, Yousung, CHEMCATCHEM, v.9, no.16, pp.3173 - 3179, 2017-08 |
Improved reversibility in lithium-oxygen battery: Understanding elementary reactions and surface charge engineering of metal alloy catalyst![]() Kim, Byung Gon; Kim, Hyung-Jin; Back, Seoin; Nam, Kwan Woo; Jung, Yousung; Han, Young-Kyu; Choi, Jang Wook, SCIENTIFIC REPORTS, v.4, 2014-02 |
Improved semi-empirical dispersion corrections in density functional calculations = 전자밀도 범함수계산에서 향상된 준경험적 분산보정link Ucak, Umit Volkan; 우�, 우민; et al, 한국과학기술원, 2016 |
Improvements for the functional accuracy and scalability of double hybrid density functional calculations using adiabatic connection and density matrix purification = 단열연결과 전자밀도행렬 정제화를 이용한 이중혼성밀도범함수 계산의 범함수 정확도와 확장성 향상link Kim, Jaehoon; 김재훈; et al, 한국과학기술원, 2016 |
Improving accuracy and feasibility for density functional calculations in molecules and solids Jung, Yousung, IUMRS-ICAM 2015, IUMRS(International Union of Materials Research Societys)/한국재료학회/BK21플러스, 2015-10-24 |
Infrared spectroscopy and density functional calculations on titanium-dinitrogen complexes Yoo, Hae-Wook; Choi, Changhyeok; Cho, Soo Gyeong; Jung, Yousung; Choi, Myong Yong, CHEMICAL PHYSICS LETTERS, v.698, pp.163 - 170, 2018-04 |
Insights into the Design Strategy for Carbon Dioxide Capture and Gas Separations using Metal-Organic Frameworks Jung, Yousung, 4th Korea CCS International Conference, (재)한국이산화탄소포집 및 처리 연구개발센터, 2014-02-25 |
Intermolecular,pi-to-pi bonding between stacked aromatic dyads. Experimental and theoretical binding energies and near-IR optical transitions for phenalenyl radical/radical versus radical/cation dimerizations Small, D; Zaitsev, V; Jung, Yousung; Rosokha, SV; Head-Gordon, M; Kochi, JK, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.126, no.42, pp.13850 - 13858, 2004-10 |
Intrinsic Relation between Hot Electron Flux and Catalytic Selectivity during Methanol Oxidation Lee, Si Woo; Park, Woonghyeon; Lee, Hyosun; Song, Heechan; Jung, Yousung; Park, Jeong Young, ACS CATALYSIS, v.9, no.9, pp.8424 - 8432, 2019-09 |
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 |
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