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Hayley R Petras

Showing results (1-10 of 6) with videos related to

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The Journal of Physical Chemistry. A|August 3, 2023
Electronic Free Energy Surface of the Nitrogen Dimer Using First-Principles Finite Temperature Electronic Structure MethodsWilliam Z Van Benschoten, Hayley R Petras, James J Shepherd
Journal of Chemical Theory and Computation|January 17, 2020
Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for <i>ab Initio</i> Hamiltonians in a Finite Basis SetHayley R Petras, Sai Kumar Ramadugu, Fionn D Malone, et al.
Journal of Chemical Theory and Computation|September 21, 2021
The Sign Problem in Density Matrix Quantum Monte CarloHayley R Petras, William Z Van Benschoten, Sai Kumar Ramadugu, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 17, 2021
Iron-Catalyzed Halogen Exchange of Trifluoromethyl Arenes*Andreas Dorian, Emily J Landgreen, Hayley R Petras, et al.
Journal of Chemical Theory and Computation|August 27, 2019
Fully Quantum Embedding with Density Functional Theory for Full Configuration Interaction Quantum Monte CarloHayley R Petras, Daniel S Graham, Sai Kumar Ramadugu, et al.
Chemical Communications (Cambridge, England)|July 19, 2024
Modulation of Fe-Fe distance and spin in diiron complexes using tetradentate ligands with different flanking donorsKyle D Spielvogel, Emily J Campbell, Sabyasachi Roy Chowdhury, et al.
Pageof 1

Showing results (1-10 of 6) with videos related to

Sort By:
Pageof 1
The Journal of Physical Chemistry. A|August 3, 2023
Electronic Free Energy Surface of the Nitrogen Dimer Using First-Principles Finite Temperature Electronic Structure MethodsWilliam Z Van Benschoten, Hayley R Petras, James J Shepherd
Journal of Chemical Theory and Computation|January 17, 2020
Using Density Matrix Quantum Monte Carlo for Calculating Exact-on-Average Energies for <i>ab Initio</i> Hamiltonians in a Finite Basis SetHayley R Petras, Sai Kumar Ramadugu, Fionn D Malone, et al.
Journal of Chemical Theory and Computation|September 21, 2021
The Sign Problem in Density Matrix Quantum Monte CarloHayley R Petras, William Z Van Benschoten, Sai Kumar Ramadugu, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|June 17, 2021
Iron-Catalyzed Halogen Exchange of Trifluoromethyl Arenes*Andreas Dorian, Emily J Landgreen, Hayley R Petras, et al.
Journal of Chemical Theory and Computation|August 27, 2019
Fully Quantum Embedding with Density Functional Theory for Full Configuration Interaction Quantum Monte CarloHayley R Petras, Daniel S Graham, Sai Kumar Ramadugu, et al.
Chemical Communications (Cambridge, England)|July 19, 2024
Modulation of Fe-Fe distance and spin in diiron complexes using tetradentate ligands with different flanking donorsKyle D Spielvogel, Emily J Campbell, Sabyasachi Roy Chowdhury, et al.
Pageof 1