11 citations · 11 across the 2 of their papers we have counts for
2 papers
physics.comp-ph2023
Scalability of 3D-DFT by block tensor-matrix multiplication on the JUWELS Cluster
Nitin Malapally, Viacheslav Bolnykh, Estela Suarez +3
The 3D Discrete Fourier Transform (DFT) is a technique used to solve problems in disparate fields. Nowadays, the commonly adopted implementation of the 3D-DFT is derived from the F…
physics.chem-ph2021★ 11 cited
Wavefunction-based electrostatic-embedding QM/MM using CFOUR through MiMiC
Till Kirsch, Jógvan Magnus Haugaard Olsen, Viacheslav Bolnykh +5
We present an interface of the wavefunction-based quantum-chemical software CFOUR to the multiscale modeling framework MiMiC. Electrostatic embedding of the quantummechanical (QM)…