Elvis Maradzike

Radical Dimerization in a Plastic Organic Crystal Leads to Structural and Magnetic Bistability with Wide Thermal Hysteresis

Alina Dragulescu‐Andrasi, Alexander S. Filatov, Richard T. Oakley et al. · Journal of the American Chemical Society · 2019 · 43 citations

Natural Sciences, Chemistry, Physics +17

Heterogeneous CPU + GPU Algorithm for Variational Two-Electron Reduced-Density Matrix-Driven Complete Active-Space Self-Consistent Field Theory

J. Wayne Mullinax, Elvis Maradzike, Lauren N. Koulias et al. · Journal of Chemical Theory and Computation · 2019 · 35 citations · Full text

Natural Sciences, Chemistry, Physics +16

Hit Expansion of a Noncovalent SARS-CoV-2 Main Protease Inhibitor

Jens Gläser, Ada Sedova, Stephanie Galanie et al. · ACS Pharmacology & Translational Science · 2022 · 29 citations · Full text

Pharmacy, Medicinal Chemistry, Pharmacology +17

Analytic Energy Gradients for Variational Two-Electron Reduced-Density-Matrix-Driven Complete Active Space Self-Consistent Field Theory

Elvis Maradzike, Gergely Gidofalvi, Justin M. Turney et al. · Journal of Chemical Theory and Computation · 2017 · 18 citations

Natural Sciences, Chemistry, Physics +17

Reduced Density Matrix-Driven Complete Active Apace Self-Consistent Field Corrected for Dynamic Correlation from the Adiabatic Connection

Elvis Maradzike, Michał Hapka, Katarzyna Pernal et al. · Journal of Chemical Theory and Computation · 2020 · 18 citations

Natural Sciences, Chemistry, Physics +17