Baron Peters
8PUBLICATIONS
16CO-AUTHORS
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Publications (8)
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|May 04, 2021
Free energies of crystals computed using Einstein crystal with fixed center of mass and differing spring constants.Vikram Khanna, Jamshed Anwar, Daan Frenkel
|Dec 31, 2020
Importance learning estimator for the site-averaged turnover frequency of a disordered solid catalyst.Craig A Vandervelden, Salman A Khan, Baron Peters
|Dec 31, 2020
Diabat method for polymorph free energies: Extension to molecular crystals.Kartik Kamat, Rui Guo, Susan M Reutzel-Edens
|Dec 09, 2020
Absolute chemical potentials for complex molecules in fluid phases: A centroid reference for predicting phase equilibria.Vikram Khanna, Michael F Doherty, Baron Peters
|Aug 11, 2020
How fluxional reactants limit the accuracy/efficiency of infrequent metadynamics.Salman A Khan, Bradley M Dickson, Baron Peters
|Jul 17, 2020
Solvent reaction coordinate for an SN2 reaction.Christian Leitold, Christopher J Mundy, Marcel D Baer
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Frequent Collaborators
2 joint publications
Kartik Kamat
2 joint publications
Jamshed Anwar
2 joint publications
Christian Leitold
2 joint publications
Salman A Khan
2 joint publications
Vikram Khanna
2 joint publications
Michael F Doherty
1 joint publications
Ryan Yappert
1 joint publications
Christopher J Mundy
1 joint publications
Marcel D Baer
1 joint publications
Gregory K Schenter
