R K Kathir

Publication Activity (10 Years)

Years Active: 2020-2022
Publications (10 Years): 3

Top Topics

Density Functional Theory

Transition Metal

Room Temperature

Top Venues

Physical chemistry chemical physics : PCCP

The Journal of chemical physics

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

A Sánchez-Mansilla, C Sousa, R K Kathir, R Broer, T P Straatsma, Coen de Graaf
On the role of dynamic electron correlation in non-orthogonal configuration interaction with fragments. Physical chemistry chemical physics : PCCP 24 (19) (2022)
R K Kathir, Coen de Graaf, Ria Broer, Remco W A Havenith
Reduced Common Molecular Orbital Basis for Nonorthogonal Configuration Interaction. Journal of chemical theory and computation 16 (5) (2020)
T P Straatsma, Ria Broer, Shirin Faraji, Remco W A Havenith, L E Aguilar Suarez, R K Kathir, Meilani Wibowo, Coen de Graaf
GronOR: Massively parallel and GPU-accelerated non-orthogonal configuration interaction for large molecular systems. The Journal of chemical physics 152 (6) (2020)