Kuang Yu, Ph.D.
Affiliations: | 2008-2013 | Chemistry | University of Wisconsin, Madison, Madison, WI |
| 2013-2016 | Mechanical and Aerospace Engineering Department | Princeton University, Princeton, NJ |
Area:
Computational chemistryGoogle:
"Kuang Yu"Mean distance: 9.86
Parents
Sign in to add mentor| Jordan R. Schmidt | grad student | 2013 | UW Madison | |
| (First Principles Studies of Gas Adsorption in Metal Organic Frameworks.) | ||||
| Emily Ann Carter | post-doc | 2013-2016 | Princeton | |
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Publications
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| Chen J, Yu K. (2023) PhyNEO: A Neural-Network-Enhanced Physics-Driven Force Field Development Workflow for Bulk Organic Molecule and Polymer Simulations. Journal of Chemical Theory and Computation. 20: 253-265 |
| Yu K, Carter EA. (2017) Extending density functional embedding theory for covalently bonded systems. Proceedings of the National Academy of Sciences of the United States of America. 114: E10861-E10870 |
| Cheng J, Libisch F, Yu K, et al. (2017) Potential Functional Embedding Theory at the Correlated Wavefunction Level, Part I: Mixed Basis Set Embedding. Journal of Chemical Theory and Computation |
| Cheng J, Yu K, Libisch F, et al. (2017) Potential Functional Embedding Theory at the Correlated Wave Function Level, Part II: Error Sources and Performance Tests. Journal of Chemical Theory and Computation |
| Yu K, Carter EA. (2016) Determining and Controlling the Stoichiometry of Cu2ZnSnS4 Photovoltaics: The Physics and Its Implications Chemistry of Materials. 28: 4415-4420 |
| Yu K, Carter EA. (2016) Elucidating Structural Disorder and the Effects of Cu Vacancies on the Electronic Properties of Cu2ZnSnS4 Chemistry of Materials. 28: 864-869 |
| Sampson JN, Wheeler WA, Yeager M, et al. (2015) Analysis of Heritability and Shared Heritability Based on Genome-Wide Association Studies for Thirteen Cancer Types. Journal of the National Cancer Institute. 107 |
| Yu K, Libisch F, Carter EA. (2015) Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states. The Journal of Chemical Physics. 143: 102806 |
| Schmidt JR, Yu K, McDaniel JG. (2015) Transferable next-generation force fields from simple liquids to complex materials. Accounts of Chemical Research. 48: 548-56 |
| Yu K, Libisch F, Carter EA. (2015) Implementation of density functional embedding theory within the projector-augmented-wave method and applications to semiconductor defect states Journal of Chemical Physics. 143 |