1 citations · 1 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2024
Accelerating inverse Kohn-Sham calculations using reduced density matrices
Bikash Kanungo, Soumi Tribedi, Paul M. Zimmerman +1
The Ryabinkin-Kohut-Staroverov (RKS) and Kanungo-Zimmerman-Gavini (KZG) methods offer two approaches to find exchange-correlation (XC) potentials from ground state densities. The R…
physics.chem-ph2023★ 1 cited
Massively parallel quantum chemistry: PFAS on over 1 million cloud vCPUs
Alan E. Rask, Lee Huntington, SungYeon Kim +16
Accurate solutions to the electronic Schrödinger equation can provide valuable insight for electron interactions within molecular systems, accelerating the molecular design and dis…