Karol Kowalski, Ph.D.
Affiliations: | Pacific Northwest National Laboratory, Richland, WA, United States |
Area:
quantum chemistry, parallel computingWebsite:
http://emslbios.pnl.gov/bios/biosketch.nsf/bynameinit/kowalski_kGoogle:
"Karol Kowalski"Mean distance: 9.23 | S | N | B | C | P |
Parents
Sign in to add mentor| Karol Jankowski | grad student | 1990-1999 | Nicolaus Copernicus University |
| Piotr Piecuch | post-doc | 1999-2004 | Michigan State |
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Publications
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| Vila FD, Rehr JJ, Kowalski K, et al. (2024) RT-EOM-CCSD Calculations of Inner and Outer Valence Ionization Energies and Spectral Functions. Journal of Chemical Theory and Computation |
| Mejia-Rodriguez D, Aprà E, Autschbach J, et al. (2023) NWChem: Recent and Ongoing Developments. Journal of Chemical Theory and Computation |
| Pathak H, Panyala A, Peng B, et al. (2023) 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. Journal of Chemical Theory and Computation. 19: 2248-2257 |
| Unsleber JP, Liu H, Talirz L, et al. (2023) High-throughput ab initio reaction mechanism exploration in the cloud with automated multi-reference validation. The Journal of Chemical Physics. 158: 084803 |
| Shee A, Yeh CN, Peng B, et al. (2023) Triple Excitations in Green's Function Coupled Cluster Solver for Studies of Strongly Correlated Systems in the Framework of Self-Energy Embedding Theory. The Journal of Physical Chemistry Letters. 14: 2416-2424 |
| Kowalski K. (2023) Sub-system self-consistency in coupled cluster theory. The Journal of Chemical Physics. 158: 054101 |
| Makoś MZ, Gurunathan PK, Raugei S, et al. (2022) Modeling Absolute Redox Potentials of Ferrocene in the Condensed Phase. The Journal of Physical Chemistry Letters. 13: 10005-10010 |
| Vila FD, Rehr JJ, Pathak H, et al. (2022) Real-time equation-of-motion CC cumulant and CC Green's function simulations of photoemission spectra of water and water dimer. The Journal of Chemical Physics. 157: 044101 |
| Bauman NP, Kowalski K. (2022) Coupled cluster downfolding methods: The effect of double commutator terms on the accuracy of ground-state energies. The Journal of Chemical Physics. 156: 094106 |
| Bylaska EJ, Song D, Bauman NP, et al. (2021) Quantum Solvers for Plane-Wave Hamiltonians: Abridging Virtual Spaces Through the Optimization of Pairwise Correlations. Frontiers in Chemistry. 9: 603019 |