Detalhe da pesquisa
1.
From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape.
Chem Rev;
121(8): 4962-4998, 2021 04 28.
Artigo
em Inglês
| MEDLINE
| ID: mdl-33788546
2.
TAMM: Tensor algebra for many-body methods.
J Chem Phys;
159(2)2023 Jul 14.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37428065
3.
Real-time equation-of-motion CC cumulant and CC Green's function simulations of photoemission spectra of water and water dimer.
J Chem Phys;
157(4): 044101, 2022 Jul 28.
Artigo
em Inglês
| MEDLINE
| ID: mdl-35922363
4.
Cavity Quantum Electrodynamics Complete Active Space Configuration Interaction Theory.
J Chem Theory Comput;
20(3): 1214-1227, 2024 Feb 13.
Artigo
em Inglês
| MEDLINE
| ID: mdl-38291561
5.
Real-Time Equation-of-Motion Coupled-Cluster Cumulant Green's Function Method: Heterogeneous Parallel Implementation Based on the Tensor Algebra for Many-Body Methods Infrastructure.
J Chem Theory Comput;
19(8): 2248-2257, 2023 Apr 25.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37096369
6.
A Perspective on Sustainable Computational Chemistry Software Development and Integration.
J Chem Theory Comput;
19(20): 7056-7076, 2023 Oct 24.
Artigo
em Inglês
| MEDLINE
| ID: mdl-37769271