Karol Kowalski, Ph.D.

Affiliations: 
Pacific Northwest National Laboratory, USA 
Area:
quantum chemistry, parallel computing
Website:
http://emslbios.pnl.gov/bios/biosketch.nsf/bynameinit/kowalski_k
Google:
"Karol Kowalski"
Mean distance: 9.23
 
SNBCP

Children

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Jeff R. Hammond grad student 2006-2009 PNNL

Collaborators

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Eric Jon Bylaska collaborator 2006-
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Publications

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Barca GMJ, Bertoni C, Carrington L, et al. (2020) Recent developments in the general atomic and molecular electronic structure system. The Journal of Chemical Physics. 152: 154102
Bauman NP, Low GH, Kowalski K. (2019) Quantum simulations of excited states with active-space downfolded Hamiltonians. The Journal of Chemical Physics. 151: 234114
Bauman NP, Bylaska EJ, Krishnamoorthy S, et al. (2019) Downfolding of many-body Hamiltonians using active-space models: Extension of the sub-system embedding sub-algebras approach to unitary coupled cluster formalisms. The Journal of Chemical Physics. 151: 014107
Pirojsirikul T, Götz AW, Weare J, et al. (2017) Combined quantum-mechanical molecular mechanics calculations with NWChem and AMBER: Excited state properties of green fluorescent protein chromophore analogue in aqueous solution. Journal of Computational Chemistry
Peng B, Govind N, Aprà E, et al. (2017) Coupled Cluster Studies of Ionization Potentials and Electron Affinities of Single Walled Carbon Nanotubes. The Journal of Physical Chemistry. A
Bhaskaran-Nair K, Valiev M, Deng SH, et al. (2015) Probing microhydration effect on the electronic structure of the GFP chromophore anion: Photoelectron spectroscopy and theoretical investigations. The Journal of Chemical Physics. 143: 224301
Moore B, Sun H, Govind N, et al. (2015) Charge-Transfer Versus Charge-Transfer-Like Excitations Revisited. Journal of Chemical Theory and Computation. 11: 3305-3320
Banik S, Ravichandran L, Brabec J, et al. (2015) Iterative universal state selective correction for the Brillouin-Wigner multireference coupled-cluster theory. The Journal of Chemical Physics. 142: 114106
Bhaskaran-Nair K, Kowalski K, Jarrell M, et al. (2015) Equation of motion coupled cluster methods for electron attachment and ionization potential in polyacenes Chemical Physics Letters. 641: 146-152
Bhaskaran-Nair K, Kowalski K, Moreno J, et al. (2014) Equation of motion coupled cluster methods for electron attachment and ionization potential in fullerenes C60 and C70. The Journal of Chemical Physics. 141: 074304
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