Chemistry
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16 january 2020 23:00:12 |
| [ASAP] Accelerating Excitation Energy Computation in Molecules and Solids within Linear-Response Time-Dependent Density Functional Theory via Interpolative Separable Density Fitting Decomposition (Journal of Chemical Theory and Computation) |
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Tweet Journal of Chemical Theory and ComputationDOI: 10.1021/acs.jctc.9b01019 |
| 236 viewsCategory: Chemistry |
 [ASAP] Characterizing Protein-Ligand Binding Using Atomistic Simulation and Machine Learning: Application to Drug Resistance in HIV-1 Protease (Journal of Chemical Theory and Computation)[ASAP] Isotope Effect between H2O and D2O in Hydrothermal Synthesis (Chemistry of Materials) 
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