Publications

Filters: Author is Peters, Baron  [Clear All Filters]
Journal Article
Mullen RGotchy, Shea J-E, Peters B.  2014.  Communication: An existence test for dividing surfaces without recrossing. The Journal of Chemical Physics. 140:041104.
Joswiak MN, Doherty MF, Peters B.  2016.  Critical length of a one-dimensional nucleus. Journal of Chemical Physics. 145(21):6.
Mullen RGotchy, Shea J-E, Peters B.  2015.  Easy Transition Path Sampling Methods: Flexible Length Aimless Shooting and Permutation Shooting. Journal of Chemical Theory and Computation.
Joswiak MN, Peters B, Doherty MF.  2018.  In Silico Crystal Growth Rate Prediction for NaCl from Aqueous Solution. Crystal Growth & Design. 18:6302–6306.
Joswiak MN, Doherty MF, Peters B.  2018.  Ion dissolution mechanism and kinetics at kink sites on NaCl surfaces. Proceedings of the National Academy of Sciences. :201713452.
Agarwal V, Peters B.  2014.  Nucleation near the eutectic point in a Potts-lattice gas model. The Journal of Chemical Physics. 140:084111.
Zimmermann NER, Vorselaars B, Quigley D, Peters B.  2015.  Nucleation of NaCl from aqueous solution: Critical sizes, ion-attachment kinetics, and rates. Journal of the American Chemical Society. 137:13352–13361.
Duff N, Dahal YRaj, Schmit JD, Peters B.  2014.  Salting out the polar polymorph: Analysis by alchemical solvent transformation. Journal of Chemical Physics. 140(1):014501.
Joswiak MN, Duff N, Doherty MF, Peters B.  2013.  Size-Dependent Surface Free Energy and Tolman-Corrected Droplet Nucleation of TIP4P/2005 Water. The Journal of Physical Chemistry Letters. 4:4267-4272.
Mullen RGotchy, Shea J-E, Peters B.  2014.  Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation. Journal of Chemical Theory and Computation.