Jung, Yousung
- Jang, Jidon and Noh, Juhwan, el al. (2024) Synthesizability of materials stoichiometry using semi-supervised learning; Metter; Vol. 7; No. 6; 2294-2312; 10.1016/j.matt.2024.05.002
- Gu, Geun Ho and Lim, Juhyung, el al. (2021) Autobifunctional Mechanism of Jagged Pt Nanowires for Hydrogen Evolution Kinetics via End-to-End Simulation; Journal of the American Chemical Society; Vol. 143; No. 14; 5355-5363; 10.1021/jacs.0c11261
- Noh, Juhwan and Kim, Sungwon, el al. (2019) Unveiling new stable manganese based photoanode materials via theoretical high-throughput screening and experiments; Chemical Communications; Vol. 55; No. 89; 13418-13421; 10.1039/c9cc06736a
- Noh, Juhwan and Kim, Jaehoon, el al. (2019) Inverse Design of Solid-State Materials via a Continuous Representation; Matter; Vol. 1; No. 5; 1370-1384; 10.1016/j.matt.2019.08.017
- Kim, In and Pascal, Tod A., el al. (2018) pH-Dependent Conformations for Hyperbranched Poly(ethylenimine) from All-Atom Molecular Dynamics; Macromolecules; Vol. 51; No. 6; 2187-2194; 10.1021/acs.macromol.7b02573
- Kwac, Kijeong and Kim, In, el al. (2017) Multilayer Two-Dimensional Water Structure Confined in MoS_2; Journal of Physical Chemistry C; Vol. 121; No. 29; 16021-16028; 10.1021/acs.jpcc.7b05153
- Shao, Yihan and Gan, Zhengting, el al. (2015) Advances in molecular quantum chemistry contained in the Q-Chem 4 program package; Molecular Physics; Vol. 113; No. 2; 184-215; 10.1080/00268976.2014.952696
- Lim, Soo Yeon and Kim, Heejin, el al. (2014) Role of intermediate phase for stable cycling of
Na_7V_4(P_2O_7)_4PO_4 in sodium ion battery; Proceedings of the National Academy of Sciences of the United States of America; Vol. 111; No. 2; 599-604; PMCID PMC3896142; 10.1073/pnas.1316557110
- Ji, Hyunjun and Shao, Yihan, el al. (2013) Analytic Derivatives of Quartic-Scaling Doubly Hybrid XYGJ-OS
Functional: Theory, Implementation, and Benchmark Comparison
with M06-2X and MP2 Geometries for Nonbonded Complexes; Journal of Chemical Theory and Computation; Vol. 9; No. 4; 1971-1976; PMCID PMC3650862; 10.1021/ct400050d
- Pascal, Tod A. and Schärf, Daniel, el al. (2012) On the absolute thermodynamics of water from computer simulations: A comparison of first-principles molecular dynamics, reactive and empirical force fields; Journal of Chemical Physics; Vol. 137; No. 24; Art. No. 244507; 10.1063/1.4771974
- Pascal, Tod A. and Lin, Shiang-Tai, el al. (2012) Stability of Positively Charged Solutes in Water: A Transition from Hydrophobic to Hydrophilic; Journal of Physical Chemistry Letters; Vol. 3; No. 3; 294-298; 10.1021/jz201612y
- Zhang, Igor Ying and Xu, Xin, el al. (2011) A fast doubly hybrid density functional method close to chemical accuracy using a local opposite spin ansatz; Proceedings of the National Academy of Sciences of the United States of America; Vol. 108; No. 50; 19896-19900; PMCID PMC3250148; 10.1073/pnas.1115123108
- Pascal, Tod A. and Goddard, William A., III, el al. (2011) Entropy and the driving force for the filling of carbon nanotubes with water; Proceedings of the National Academy of Sciences of the United States of America; Vol. 108; No. 29; 11794-11798; PMCID PMC3141970; 10.1073/pnas.1108073108
- Wang, Yanting and Hodas, Nathan O., el al. (2011) Microscopic structure and dynamics of air/water interface by computer simulations-comparison with sum-frequency generation experiments; Physical Chemistry Chemical Physics; Vol. 13; No. 12; 5388-5393; 10.1039/c0cp02745f
- Jung, Yousung and Marcus, R. A. (2010) Protruding interfacial OH groups and 'on-water' heterogeneous catalysis; Journal of Physics: Condensed Matter; Vol. 22; No. 28; Art. No. 284117; 10.1088/0953-8984/22/28/284117
- Kurlancheek, Westin and Jung, Yousung, el al. (2008) Effects of ligands and spin-polarization on the preferred conformation of distannynes; Dalton Transactions; Vol. 2008; No. 33; 4428-4435; 10.1039/b803417f
- Jung, Yousung and Marcus, R. A. (2007) On the theory of organic catalysis "on water"; Journal of the American Chemical Society; Vol. 129; No. 17; 5492-5502; 10.1021/ja068120f