| 3D molecular generative framework for interaction-guided drug design W Zhung, H Kim, WY Kim Nature Communications 15 (1), 2688, 2024 | 4* | 2024 |
| A Bayesian graph convolutional network for reliable prediction of molecular properties with uncertainty quantification S Ryu, Y Kwon, WY Kim Chemical Science 10 (36), 8438-8446, 2019 | 122 | 2019 |
| A Radical Polymer as a Two‐Dimensional Organic Half Metal EC Lee, YC Choi, WY Kim, N Singh, S Lee, JH Shim, KS Kim Chemistry-A European Journal 16 (40), 12141-12146, 2010 | 26 | 2010 |
| Accelerated chemical science with AI S Back, A Aspuru-Guzik, M Ceriotti, G Gryn'ova, B Grzybowski, GH Gu, ... Digital Discovery 3 (1), 23-33, 2024 | 18 | 2024 |
| Accuracy of Lagrange-sinc functions as a basis set for electronic structure calculations of atoms and molecules S Choi, K Hong, J Kim, WY Kim The Journal of chemical physics 142 (9), 094116, 2015 | 24 | 2015 |
| ACE-Molecule: An open-source real-space quantum chemistry package S Kang, J Woo, J Kim, H Kim, Y Kim, J Lim, S Choi, WY Kim The Journal of Chemical Physics 152 (12), 124110, 2020 | 10 | 2020 |
| Anomalous behavior of mercury in one dimension: Density-functional calculations WY Kim, T Nautiyal, SJ Youn, KS Kim Physical Review B—Condensed Matter and Materials Physics 71 (11), 113104, 2005 | 14 | 2005 |
| Application of quantum chemistry to nanotechnology: electron and spin transport in molecular devices WY Kim, YC Choi, SK Min, Y Cho, KS Kim Chemical Society Reviews 38 (8), 2319-2333, 2009 | 147 | 2009 |
| Bicyclic Bridgehead Phosphoramidite (Briphos) Ligands with Tunable π-Acceptor Ability and Catalytic Activity in the Rhodium-Catalyzed Conjugate Additions A Lee, S Ahn, K Kang, MS Seo, Y Kim, WY Kim, H Kim Organic letters 16 (20), 5490-5493, 2014 | 41 | 2014 |
| C3Net: interatomic potential neural network for prediction of physicochemical properties in heterogenous systems S Lee, J Lim, WY Kim arXiv preprint arXiv:2309.15334, 2023 | | 2023 |
| Carbon nanotube, graphene, nanowire, and molecule‐based electron and spin transport phenomena using the nonequilibrium Green's function method at the level of first principles … WY Kim, KS Kim Journal of computational chemistry 29 (7), 1073-1083, 2008 | 97 | 2008 |
| Chromium porphyrin arrays as spintronic devices WJ Cho, Y Cho, SK Min, WY Kim, KS Kim Journal of the American Chemical Society 133 (24), 9364-9369, 2011 | 201 | 2011 |
| Circularly Polarized Light Can Override and Amplify Asymmetry in Supramolecular Helices JS Kang, S Kang, JM Suh, SM Park, DK Yoon, MH Lim, WY Kim, M Seo Journal of the American Chemical Society 144 (6), 2657-2666, 2022 | 27 | 2022 |
| Circularly Polarized Light can Override and Amplify Molecular Chirality in Supramolecular Helices | | |
| Collective Variable Free Transition Path Sampling with Generative Flow Network K Seong, S Park, S Kim, WY Kim, S Ahn arXiv preprint arXiv:2405.19961, 2024 | | 2024 |
| Composition-controlled PtCo alloy nanocubes with tuned electrocatalytic activity for oxygen reduction SI Choi, SU Lee, WY Kim, R Choi, K Hong, KM Nam, SW Han, JT Park ACS applied materials & interfaces 4 (11), 6228-6234, 2012 | 115 | 2012 |
| Computational searching for new stable graphyne structures and their electronic properties H Kim, Y Kim, J Kim, WY Kim Carbon 98, 404-410, 2016 | 40 | 2016 |
| Computer Aided Nanomaterials Design–Self-assembly, Nanooptics, Molecular Electronics/Spintronics, and Fast DNA Sequencing Y Cho, SK Min, JY Lee, WY Kim, KS Kim Practical Aspects of Computational Chemistry I: An Overview of the Last Two …, 2012 | | 2012 |
| Condensed Matter: Structure, etc.-How Can We Make Stable Linear Monoatomic Chains? Gold-Cesium Binary Subnanowires as an Example of a Charge-Transfer-Driven Approach to Alloying YC Choi, HM Lee, WY Kim, SK Kwon, T Nautiyal, DY Cheng, ... Physical Review Letters 98 (7), 76101, 2007 | | 2007 |
| Configuration interaction singles based on the real-space numerical grid method: Kohn–Sham versus Hartree–Fock orbitals J Kim, K Hong, S Choi, SY Hwang, WY Kim Physical Chemistry Chemical Physics 17 (47), 31434-31443, 2015 | 26 | 2015 |
Kwang S. KimChemistry, Ulsan National Institute of Science and Technology (UNIST)在 unist.ac.kr 的电子邮件经过验证
