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2018

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.

2016

Joswiak MN, Doherty MF, Peters B. 2016. Critical length of a one-dimensional nucleus. Journal of Chemical Physics. 145(21):6.

2015

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.

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.

2014

Mullen RGotchy, Shea J-E, Peters B. 2014. Communication: An existence test for dividing surfaces without recrossing. The Journal of Chemical Physics. 140:041104.

Agarwal V, Peters B. 2014. Nucleation near the eutectic point in a Potts-lattice gas model. The Journal of Chemical Physics. 140:084111.

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.

Mullen RGotchy, Shea J-E, Peters B. 2014. Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation. Journal of Chemical Theory and Computation.

2013

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.

Acknowledgements

Please acknowledge the CSC in publications and presentations if you are using our facilities computing resources in your research.

Use was made of computational facilities purchased with funds from the National Science Foundation (CNS-1725797) and administered by the Center for Scientific Computing (CSC). The CSC is supported by the California NanoSystems Institute and the Materials Research Science and Engineering Center (MRSEC; NSF DMR 1720256) at UC Santa Barbara.