Piotr Piecuch, Ph.D.

Chemistry Michigan State University, East Lansing, MI 
coupled-cluster theory
"Piotr Piecuch"


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Zahariev F, Xu P, Westheimer BM, et al. (2023) The General Atomic and Molecular Electronic Structure System (GAMESS): Novel Methods on Novel Architectures. Journal of Chemical Theory and Computation. 19: 7031-7055
Gururangan K, Piecuch P. (2023) Converging high-level coupled-cluster energetics via adaptive selection of excitation manifolds driven by moment expansions. The Journal of Chemical Physics. 159
Chakraborty A, Yuwono SH, Deustua JE, et al. (2022) Benchmarking the semi-stochastic CC(P;Q) approach for singlet-triplet gaps in biradicals. The Journal of Chemical Physics. 157: 134101
Gururangan K, Deustua JE, Shen J, et al. (2021) High-level coupled-cluster energetics by merging moment expansions with selected configuration interaction. The Journal of Chemical Physics. 155: 174114
Park W, Shen J, Lee S, et al. (2021) Internal Conversion between Bright (1) and Dark (2) States in s--Butadiene and s--Hexatriene. The Journal of Physical Chemistry Letters. 9720-9729
Magoulas I, Gururangan K, Piecuch P, et al. (2021) Is Externally Corrected Coupled Cluster Always Better Than the Underlying Truncated Configuration Interaction? Journal of Chemical Theory and Computation
Deustua JE, Shen J, Piecuch P. (2021) High-level coupled-cluster energetics by Monte Carlo sampling and moment expansions: Further details and comparisons. The Journal of Chemical Physics. 154: 124103
Eriksen JJ, Anderson TA, Deustua JE, et al. (2020) The Ground State Electronic Energy of Benzene. The Journal of Physical Chemistry Letters. 8922-8929
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
Yuwono SH, Magoulas I, Piecuch P. (2020) Quantum computation solves a half-century-old enigma: Elusive vibrational states of magnesium dimer found. Science Advances. 6: eaay4058
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