Showing results (1-10 of 164) with videos related to

Sort By:
Pageof 17
Journal of Computer-Aided Molecular Design|March 1, 2020
Performing solvation free energy calculations in LAMMPS using the decoupling approachVikram Khanna, Jacob I Monroe, Michael F Doherty, et al.
The Journal of Chemical Physics|December 9, 2020
Absolute chemical potentials for complex molecules in fluid phases: A centroid reference for predicting phase equilibriaVikram Khanna, Michael F Doherty, Baron Peters
The Journal of Chemical Physics|May 4, 2021
Free energies of crystals computed using Einstein crystal with fixed center of mass and differing spring constantsVikram Khanna, Jamshed Anwar, Daan Frenkel, et al.
The Journal of Chemical Physics|August 12, 2017
Critical length of a one-dimensional nucleusMark N Joswiak, Michael F Doherty, Baron Peters
The Journal of Chemical Physics|April 26, 2011
A simulation test of the optical Kerr mechanism for laser-induced nucleationBrandon C Knott, Michael F Doherty, Baron Peters
Proceedings of the National Academy of Sciences of the United States of America|January 10, 2018
Ion dissolution mechanism and kinetics at kink sites on NaCl surfacesMark N Joswiak, Michael F Doherty, Baron Peters
Journal of the American Chemical Society|November 15, 2012
Homogeneous nucleation of methane hydrates: unrealistic under realistic conditionsBrandon C Knott, Valeria Molinero, Michael F Doherty, et al.
The Journal of Chemical Physics|December 3, 2016
Energetic and entropic components of the Tolman length for mW and TIP4P/2005 water nanodropletsMark N Joswiak, Ryan Do, Michael F Doherty, et al.
The Journal of Chemical Physics|December 17, 2009
Estimating diffusivity along a reaction coordinate in the high friction limit: Insights on pulse times in laser-induced nucleationBrandon C Knott, Nathan Duff, Michael F Doherty, et al.
The Journal of Physical Chemistry Letters|August 22, 2015
Size-Dependent Surface Free Energy and Tolman-Corrected Droplet Nucleation of TIP4P/2005 WaterMark N Joswiak, Nathan Duff, Michael F Doherty, et al.
Pageof 17