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3 results in Authors: Benjamin Rudshteyn

Theoretical and Computational Chemistry

Calculation of Metallocene Ionization Potentials via Auxiliary Field Quantum Monte Carlo: Towards Benchmark Quantum Chemistry for Transition Metals

Benjamin Rudshteyn, John L. Weber, Dilek Coskun, Pierre A. Devlaminck, Shiwei Zhang, David R. Reichman, James Shee, Richard A. Friesner

Version 3 posted 31 January 2022

1,099

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Theoretical and Computational Chemistry

Accurate quantum chemical reaction energies for lithium-mediated electrolyte decomposition and evaluation of density functional approximations

Sibali Debnath, Verena A. Neufeld, Leif D. Jacobson, Benjamin Rudshteyn, John L. Weber, Timothy C. Berkelbach, Richard A. Friesner

Version 2 posted 14 August 2023

447

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Theoretical and Computational Chemistry

OPLS5: Addition of Polarizability and Improved Treatment of Metals

Wolfgang Damm, Steven Dajnowicz, Delaram Ghoreishi, Yalun Yu, Karthik Ganeshan, Owen Madin, Benjamin Rudshteyn, Rui Hu, Meng Wu, Yi Shang, Steven Albanese, Yefen Zou, Min Ye, Zachary Johnson, Michael Trzoss, Salma Rafi, Kanishk Kapilashrami, Noureldin Saleh, Phani Ghanakota, Yan Zhang, Jared Sampson, Wei Chen, Lingle Wang, Markus Dahlgren, Ellery Russell, Abba Leffler, Robert Abel, Richard Friesner, Edward Harder

Version 1 posted 13 August 2024

393

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