Browse "Graduate school of EEWS(EEWS대학원)" by Author Jung, Yousung
Showing results 1 to 60 of 215
| A catalytic role of surface silanol groups in CO2 capture on the amine-anchored silica support Cho, Moses; Park, Joonho; Yavuz, Cafer T; Jung, Yousung, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.20, no.17, pp.12149 - 12156, 2018-05 |
| A fast and accurate doubly hybrid density functional method toward chemical accuracy: XYGJ-OS Jung, Yousung, KCS Physical Chemistry Division Meeting, 대한화학회, 2010-05-29 |
| A fast and accurate doubly hybrid density functional method toward chemical accuracy: XYGJ-OS” Jung, Yousung, 6th Electronic Structure Calculation Workshop, 고등과학원, 2010-06-22 |
| A fast correlated electronic structure method for computing interaction energies of large van der Waals complexes applied to the fullerene-porphyrin dimer Jung, Yousung; Head-Gordon, M, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.8, no.24, pp.2831 - 2840, 2006 |
| A fast density functional theory for accurate description of van der Waals interactions and thermochemistry Jung, Yousung, The 3rd SWOCS (Symposium/Workshop of Computational Sciences 2011) , Massey University, 2011-11-19 |
| A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz Zhang, IY; Xu, X; Jung, Yousung; Goddard, WA, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.108, no.50, pp.19896 - 19900, 2011-12 |
| A fast implementation of perfect pairing and imperfect pairing using the resolution of the identity approximation Sodt, A; Beran, GJO; Jung, Yousung; Austin, B; Head-Gordon, M, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.2, no.2, pp.300 - 305, 2006 |
| A local environment descriptor for machine-learned density functional theory at the generalized gradient approximation level Ji, Hyunjun; Jung, Yousung, JOURNAL OF CHEMICAL PHYSICS, v.148, no.24, 2018-06 |
| A Novel Fabrication of 3.6 nm High Graphene Nanochannels for Ultrafast Ion Transport Jung, Wonsuk; Kim, Jangheon; Kim, Soohyun; Park, Hyung Gyu; Jung, Yousung; Han, Chang-Soo, ADVANCED MATERIALS, v.29, no.17, 2017-05 |
| A perspective on the density matrix purification for linear scaling electronic structure calculations Kim, Jaehoon; Jung, Yousung, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.116, no.8, pp.563 - 568, 2016-04 |
| A perspective on the electronic structure calculations for properties of battery electrode materials Kim, Heejin; Jung, Yousung, INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, v.115, no.17, pp.1141 - 1146, 2015-09 |
| A potential role of a substrate as a base for the deprotonation pathway in Rh-catalysed C-H amination of heteroarenes: DFT insights Ajitha, Manjaly J.; Huang, Kuo-Wei; Kwak, Jaesung; Kim, Hyun Jin; Chang, Sukbok; Jung, Yousung, DALTON TRANSACTIONS, v.45, no.19, pp.7980 - 7985, 2016-05 |
| A resolution-of-the-identity implementation of the local triatomics-in-molecules model for second-order Moller-Plesset perturbation theory with application to alanine tetrapeptide conformational energies DiStasio, RA; Jung, Yousung; Head-Gordon, M, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.1, no.5, pp.862 - 876, 2005 |
| A soft damping function for dispersion corrections with less overfitting Ucak, Umit Volkan; Ji, Hyunjun; Singh, Yashpal; Jung, Yousung, JOURNAL OF CHEMICAL PHYSICS, v.145, no.17, 2016-11 |
| A striking organic catalysis on water Jung, Yousung, CECAM Workshop, CECAM-HQ-EPFL, 2009-07-01 |
| A striking rate phenomenon of organic reaction on water: A theory Jung, Yousung, 제104회 대한화학회 학술발표회, 대한화학회, 2009-10-30 |
| Ab initio quantum chemistry calculations on the electronic structure of heavier alkyne congeners: Diradical character and reactivity Jung, Yousung; Brynda, M; Power, PP; Head-Gordon, M, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.128, no.22, pp.7185 - 7192, 2006-06 |
| Accelerated Purification Using Generalized Nonpurifying Intermediate Functions for Large-Scale Self-Consistent Field Calculations Kim, J; Jung, Yousung, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.7, no.12, pp.3853 - 3858, 2011-12 |
| Accelerating Energy Materials Discovery with Density Functional Theory Jung, Yousung, 8th Asia-Pacific Conference of Theoretical and Computational Chemistry (APCTCC 8), APCTCC, IIT Bombay, 2017-12-17 |
| Accelerating Energy Materials Discovery with Scalable Computations and Machine Learning Jung, Yousung, Workshop: Accelerating the Development of Functional Energy Materials and Novel Structural Materials, University of Toronto, 2018-05-08 |
| Accelerating Energy Materials Discovery with Scalable Computations and Machine Learning Jung, Yousung, Accelerated Materials Development for Manufacturing Scientific Workshop, Agency for Science, Technology and Research (A*STAR), 2018-05-18 |
| Accurate Ab Initio-Based Force Field for Predictive CO2 Uptake Simulations in MOFs and ZIFs: Development and Applications for MTV-MOFs Han, Sang Soo; Kim, Daejin; Jung, Dong Hyun; Cho, Sangyeon; Choi, Seung-Hoon; Jung, Yousung, JOURNAL OF PHYSICAL CHEMISTRY C, v.116, no.38, pp.20254 - 20261, 2012-09 |
| Accurate Density Functional Models with Practical Implementation for Non-covalent Interactions Jung, Yousung, 4th Korea-Taiwan Symposium on Chemistry for Sustainable Developments, 한국광과학회, 2014-01-13 |
| Activated TiO2 with tuned vacancy for efficient electrochemical nitrogen reduction Han, Zishan; Choi, Changhyeok; Hong, Song; Wu, Tai-Sing; Soo, Yun-Liang; Jung, Yousung; Qiu, Jieshan; et al, APPLIED CATALYSIS B-ENVIRONMENTAL, v.257, 2019-11 |
| Activating Transition Metal Dichalcogenides by Substitutional Nitrogen-Doping for Potential ORR Electrocatalysts Singh, Yashpal; Back, Seoin; Jung, Yousung, CHEMELECTROCHEM, v.5, no.24, pp.4029 - 4035, 2018-12 |
Active learning with non-ab initio input features toward efficient CO2 reduction catalysts Noh, Juhwan; Back, Seoin; Kim, Jaehoon; Jung, Yousung, CHEMICAL SCIENCE, v.9, no.23, pp.5152 - 5159, 2018-06 |
| Active Sites of Au and Ag Nanoparticle Catalysts for CO2 Electroreduction to CO Back, Seoin; Yeom, Min Sun; Jung, Yousung, ACS CATALYSIS, v.5, no.9, pp.5089 - 5096, 2015-09 |
| Actively learned machine with non-ab initio input features toward eficient $CO_2$ reduction catalyst = 능동적 기계 학습과 비(非)제일원리 표현자를 활용한 효율적인 이산화탄소 환원 촉매 설계에 대한 이론적 연구link Noh, Juhwan; Jung, Yousung; et al, 한국과학기술원, 2018 |
| Adsorbate-driven reactive interfacial Pt-NiO1-x nanostructure formation on the Pt3Ni(111) alloy surface Kim, Jeongjin; Park, Woong Hyeon; Doh, Won Hui; Lee, Si Woo; Noh, Myung Cheol; Gallet, Jean-Jacques; Bournel, Fabrice; et al, SCIENCE ADVANCES, v.4, no.7, 2018-07 |
| Adsorption of Carbon Dioxide on Unsaturated Metal Sites in M-2(dobpdc) Frameworks with Exceptional Structural Stability and Relation between Lewis Acidity and Adsorption Enthalpy Yoo, Ga Young; Lee, Woo Ram; Jo, Hyuna; Park, Joonho; Song, Jeong Hwa; Lim, Kwang Soo; Moon, Dohyun; et al, CHEMISTRY-A EUROPEAN JOURNAL, v.22, no.22, pp.7444 - 7451, 2016-05 |
| Adsorption of water on the Si(100) surface: An ab initio and QM/MM cluster study Jung, Yousung; Choi, CH; Gordon, MS, JOURNAL OF PHYSICAL CHEMISTRY B, v.105, no.18, pp.4039 - 4044, 2001-05 |
| Advances in methods and algorithms in a modern quantum chemistry program package Shao, Y; Molnar, LF; Jung, Yousung; Kussmann, J; Ochsenfeld, C; Brown, ST; Gilbert, ATB; et al, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.8, no.27, pp.3172 - 3191, 2006 |
| Alcohol Dimer is Requisite to Form an Alkyl Oxonium Ion in the Proton Transfer of a Strong (Photo)Acid to Alcohol Park, Sun-Young; Lee, Young Min; Kwac, Kijeong; Jung, Yousung; Kwon, Oh-Hoon, CHEMISTRY-A EUROPEAN JOURNAL, v.22, no.13, pp.4340 - 4344, 2016-03 |
| Amidoximes: promising candidates for CO(2) capture Zulfiqar, S; Karadas, F; Park, Joonho; Deniz, E; Stucky, GD; Jung, Yousung; Atilhan, M; et al, ENERGY ENVIRONMENTAL SCIENCE, v.4, no.11, pp.4528 - 4531, 2011-11 |
| An ab initio study of the structure of two-, three- and five-dimer silicon clusters: An approach to the Si(100) surface Jung, Yousung; Akinaga, Y; Jordan, KD; Gordon, MS, THEORETICAL CHEMISTRY ACCOUNTS, v.109, no.5, pp.268 - 273, 2003-06 |
| An accelerated density matrix purification scheme using generalized non-purifying functions Jung, Yousung; Kim, J, the Fifth Asian Pacific Conference of Theoretical and Computational Chemistry , pp.32 - 32, WCU-ITCC, 2011-12-09 |
| An orbital-based definition of radical and multiradical character Dutoi, AD; Jung, Yousung; Head-Gordon, M, JOURNAL OF PHYSICAL CHEMISTRY A, v.108, no.46, pp.10270 - 10279, 2004-11 |
| Analytic Derivatives of Quartic-Scaling Doubly Hybrid XYGJ-OS Functional: Theory, Implementation, and Benchmark Comparison with M06-2X and MP2 Geometries for Nonbonded Complexes Ji, Hyunjun; Shao, Yihan; Goddard, William A.; Jung, Yousung, JOURNAL OF CHEMICAL THEORY AND COMPUTATION, v.9, no.4, pp.1971 - 1976, 2013-04 |
| Anomalous Manganese Activation of a Pyrophosphate Cathode in Sodium Ion Batteries: A Combined Experimental and Theoretical Study Park, Chan Sun; Kim, Heejin; Shakoor, Rana A.; Yang, Eunjeong; Lim, Soo Yeon; Kahraman, Ramazan; Jung, Yousung; et al, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.135, no.7, pp.2787 - 2792, 2013-02 |
| Anomalous manganese activation of a pyrophosphate cathode in sodium ion batteries: A combined experimental and theoretical study Park, Chansun; Kim, Heejin; Shakoor, Rara A.; Yang, Eunjeong; Lim, SooYeon; Kahraman, Ramazan; Jung, Yousung; et al, ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, v.246, 2013-09 |
| Approximate methods for the configuration problem in solids = 고체 내의 배열 문제 해결을 위한 근사적 방법link Ji, Hyunjun; 지현준; et al, 한국과학기술원, 2016 |
| Are both symmetric and buckled dimers on Si-(100) minima? Density functional and multireference perturbation theory calculations Jung, Yousung; Shao, YH; Gordon, MS; Doren, DJ; Head-Gordon, M, JOURNAL OF CHEMICAL PHYSICS, v.119, no.20, pp.10917 - 10923, 2003-11 |
| Aromaticity of four-membered-ring 6 pi-electron systems: N2S2 and Li2C4H4 Jung, Yousung; Heine, T; Schleyer, PV; Head-Gordon, M, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, v.126, no.10, pp.3132 - 3138, 2004-03 |
| Artificial neural network for the configuration problem in solids Ji, Hyunjun; Jung, Yousung, JOURNAL OF CHEMICAL PHYSICS, v.146, no.6, 2017-02 |
| Atomistic modeling and structural properties of hyperbranched polyethyleneimine = 하이퍼브랜치 폴리에틸렌이민의 원자 수준 모델링link Kim, In; Jung, Yousung; et al, 한국과학기술원, 2018 |
| Auxiliary basis expansions for large-scale electronic structure calculations Jung, Yousung; Sodt, A; Gill, PMW; Head-Gordon, M, PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA, v.102, no.19, pp.6692 - 6697, 2005-05 |
| Balancing activity, stability and conductivity of nanoporous core-shell iridium/iridium oxide oxygen evolution catalysts Kim, Yong-Tae; Lopes, Pietro Papa; Park, Shin-Ae; Lee, A-Yeong; Lim, Jinkyu; Lee, Hyunjoo; Back, Seoin; et al, NATURE COMMUNICATIONS, v.8, pp.1449, 2017-11 |
| Between Scylla and Charybdis: Hydrophobic Graphene-Guided Water Diffusion on Hydrophilic Substrates Kim, Jin-Soo; Choi, Jin Sik; Lee, Mi Jung; Park, Bae Ho; Bukhvalov, Danil; Son, Young-Woo; Yoon, Duhee; et al, SCIENTIFIC REPORTS, v.3, 2013-07 |
| Bifunctional Interface of Au and Cu for Improved CO2 Electroreduction Back, Seoin; Kim, Jun-Hyuk; Kim, Yong-Tae; Jung, Yousung, ACS APPLIED MATERIALS & INTERFACES, v.8, no.35, pp.23022 - 23027, 2016-09 |
| Can Metal-Organic Framework Separate 1-Butene from Butene Isomers? Kim, Hee Jin; Jung, Yousung, JOURNAL OF PHYSICAL CHEMISTRY LETTERS, v.5, no.3, pp.440 - 446, 2014-02 |
| Carbon nanofluidics of rapid water transport for energy applications Park, Hyung Gyu; Jung, Yousung, CHEMICAL SOCIETY REVIEWS, v.43, no.2, pp.565 - 576, 2014-01 |
| Carbon-supported Ni nanoparticles for efficient CO2 electroreduction Jia, Mingwen; Choi, Changhyeok; Wu, Tai-Sing; Ma, Chen; Kang, Peng; Tao, Hengcong; Fan, Qun; et al, CHEMICAL SCIENCE, v.9, no.47, 2018-12 |
| Catalysts Discovery and Understanding with Computational and DataDriven Approaches Jung, Yousung, ISTCP(International Society of Theoretical Chemical Physics) 2019, ISTCP 2019, 2019-07-16 |
| Comment on "Inaccuracy of Density Functional Theory Calculations for Dihydrogen Binding Energetics onto Ca Cation Centers" Ohk, Y; Kim, Yong-Hyun; Jung, Yousung, PHYSICAL REVIEW LETTERS, v.104, no.17, 2010-04 |
| Computational Analysis of Pressure-Dependent Optimal Pore Size for CO2 Capture with Graphitic Surfaces Kwac, Kijeong; Lee, Ji Hoon; Choi, Jang Wook; Jung, Yousung, JOURNAL OF PHYSICAL CHEMISTRY C, v.120, no.7, pp.3978 - 3985, 2016-02 |
| Computational Approach to the Design of Porous Materials for Efficient CO2 Capture Jung, Yousung, 9th IUPAC International Conference Novel Materials and their Synthesis (NMS-VIII), Fudan University, 2013-10-20 |
| Computational Approach to the Design of Porous Materials for Efficient CO2 Capture Jung, Yousung, 제3회 Korea CCS International Conference, 한국이산화탄소포집및처리연구개발센터, 2013-03-15 |
| Computational Approach to the Design of Porous Materials for Efficient CO2 Capture Jung, Yousung, APCE2013(13th Asia Pacific International Symposium on Microscale Separations and Analysis), (사)한국바이오칩학회, 2013-11-04 |
| Computational Approach to the Design of Porous Materials for Efficient CO₂ Capture Jung, Yousung, International Workshop on EEWS 2012 Carbon Dioxide Capture and Separation by Porous Solids, KAIST, 2012-11-14 |
| Computational exploration of borophane-supported single transition metal atoms as potential oxygen reduction and evolution electrocatalysts Singh, Yashpal; Back, Seoin; Jung, Yousung, PHYSICAL CHEMISTRY CHEMICAL PHYSICS, v.20, no.32, pp.21095 - 21104, 2018-08 |
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