Elvis Maradzike

A heterogeneous CPU + GPU algorithm for variational two-electron reduced-density matrix driven complete active space self-consistent field theory.

Gergely Gidofalvi, E. Epifanovsky, A. DePrince, 2019, Journal of chemical theory and computation.

Modeling core-level excitations with variationally optimized reduced-density matrices and the extended random phase approximation.

A. DePrince, Elvis Maradzike, 2018, The Journal of chemical physics.

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

Samuel M. Greer, I. Hung, A. Huq, 2019, Journal of the American Chemical Society.

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

A Eugene DePrince, Justin M Turney, Gergely Gidofalvi, 2017, Journal of chemical theory and computation.

Reduced density matrix driven CASSCF corrected for dynamic correlation from the adiabatic connection.

K. Pernal, A. DePrince, Michał Hapka, 2020, Journal of chemical theory and computation.