Elvis Maradzike
Oak Ridge National Laboratory(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Spectroscopy and Quantum Chemical Studies, Advanced NMR Techniques and Applications, Crystallization and Solubility Studies, Machine Learning in Materials Science
Most-Cited Works
- → Radical Dimerization in a Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis(2019)42 cited
- → Heterogeneous CPU + GPU Algorithm for Variational Two-Electron Reduced-Density Matrix-Driven Complete Active-Space Self-Consistent Field Theory(2019)35 cited
- → Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor(2022)28 cited
- → Analytic Energy Gradients for Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Theory(2017)18 cited
- → Reduced Density Matrix-Driven Complete Active Apace Self-Consistent Field Corrected for Dynamic Correlation from the Adiabatic Connection(2020)18 cited
- → Modeling core-level excitations with variationally optimized reduced-density matrices and the extended random phase approximation(2018)4 cited
- → A Heterogeneous CPU + GPU Algorithm for Variational Two-Electron Reduced-Density Matrix Driven Complete Active Space Self-Consistent Field Theory(2019)2 cited
- → CCDC 1948742: Experimental Crystal Structure Determination(2019)
- → CCDC 1948741: Experimental Crystal Structure Determination(2019)