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B. Scott Fales

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Chemistry Stanford University, Palo Alto, CA 
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Benjamin G. Levine grad student 2011-2017 Michigan State
Todd Martinez post-doc Stanford

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Hohenstein EG, Fales BS, Parrish RM, et al. (2022) Rank-reduced coupled-cluster. III. Tensor hypercontraction of the doubles amplitudes. The Journal of Chemical Physics. 156: 054102
Fedorov DA, Seritan S, Fales BS, et al. (2020) PySpawn: Software for Nonadiabatic Quantum Molecular Dynamics. Journal of Chemical Theory and Computation
Fales BS, Curtis ER, Johnson KG, et al. (2020) Performance of Coupled-Cluster Singles and Doubles on Modern Stream Processing Architectures. Journal of Chemical Theory and Computation
Seritan S, Bannwarth C, Fales BS, et al. (2020) TeraChem: Accelerating electronic structure and ab initio molecular dynamics with graphical processing units. The Journal of Chemical Physics. 152: 224110
Fales BS, Martínez TJ. (2020) Fast transformations between configuration state function and Slater determinant bases for direct configuration interaction. The Journal of Chemical Physics. 152: 164111
Fales BS, Martínez TJ. (2020) Efficient Treatment of Large Active Spaces through Multi-GPU Parallel Implementation of Direct Configuration Interaction. Journal of Chemical Theory and Computation
Seritan S, Bannwarth C, Fales BS, et al. (2020) TeraChem : A graphical processing unit ‐accelerated electronic structure package for large‐scale ab initio molecular dynamics Wires Computational Molecular Science. 11
Aldrich KE, Fales BS, Singh AK, et al. (2019) Electronic and Structural Comparisons between Iron(II/III) and Ruthenium(II/III) Imide Analogs. Inorganic Chemistry
Levine BG, Esch MP, Fales BS, et al. (2019) Conical Intersections at the Nanoscale: Molecular Ideas for Materials. Annual Review of Physical Chemistry
Peng WT, Fales BS, Levine BG. (2018) Simulating Electron Dynamics of Complex Molecules with Time-Dependent Complete Active Space Configuration Interaction. Journal of Chemical Theory and Computation
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