Role of stacking disorder in ice nucleation L Lupi, A Hudait, B Peters, M Grünwald, R Gotchy Mullen, AH Nguyen, ... Nature 551 (7679), 218-222, 2017 | 240 | 2017 |
Cassandra: An open source Monte Carlo package for molecular simulation JK Shah, E Marin‐Rimoldi, RG Mullen, BP Keene, S Khan, AS Paluch, ... Journal of computational chemistry 38 (19), 1727-1739, 2017 | 168 | 2017 |
Transmission coefficients, committors, and solvent coordinates in ion-pair dissociation RG Mullen, JE Shea, B Peters Journal of chemical theory and computation 10 (2), 659-667, 2014 | 104 | 2014 |
Surface force measurements and simulations of mussel-derived peptide adhesives on wet organic surfaces ZA Levine, MV Rapp, W Wei, RG Mullen, C Wu, GH Zerze, J Mittal, ... Proceedings of the National Academy of Sciences 113 (16), 4332-4337, 2016 | 97 | 2016 |
Reaction coordinates, one-dimensional Smoluchowski equations, and a test for dynamical self-consistency B Peters, PG Bolhuis, RG Mullen, JE Shea The Journal of chemical physics 138 (5), 2013 | 90 | 2013 |
Communication: An existence test for dividing surfaces without recrossing RG Mullen, JE Shea, B Peters The Journal of Chemical Physics 140 (4), 2014 | 47 | 2014 |
Easy transition path sampling methods: Flexible-length aimless shooting and permutation shooting RG Mullen, JE Shea, B Peters Journal of chemical theory and computation 11 (6), 2421-2428, 2015 | 46 | 2015 |
To what extent does surface hydrophobicity dictate peptide folding and stability near surfaces? GH Zerze, RG Mullen, ZA Levine, JE Shea, J Mittal Langmuir 31 (44), 12223-12230, 2015 | 24 | 2015 |
Reaction ensemble Monte Carlo simulation of xylene isomerization in bulk phases and under confinement RG Mullen, EJ Maginn Journal of Chemical Theory and Computation 13 (9), 4054-4062, 2017 | 16 | 2017 |
Reaction Ensemble Monte Carlo Simulations of CO2 Absorption in the Reactive Ionic Liquid Triethyl(octyl)phosphonium 2-Cyanopyrrolide RG Mullen, SA Corcelli, EJ Maginn The Journal of Physical Chemistry Letters 9 (18), 5213-5218, 2018 | 15 | 2018 |
Discrete fractional component Monte Carlo simulation study of dilute nonionic surfactants at the air–water interface B Yoo, E Marin-Rimoldi, RG Mullen, A Jusufi, EJ Maginn Langmuir 33 (38), 9793-9802, 2017 | 15 | 2017 |
Hybrid Computational Strategy for Predicting CO2 Solubilities in Reactive Ionic Liquids QR Sheridan, RG Mullen, TB Lee, EJ Maginn, WF Schneider The Journal of Physical Chemistry C 122 (25), 14213-14221, 2018 | 14 | 2018 |
Quantum accurate prediction of plutonium–plutonium dihydride phase equilibrium using a lattice gas model RG Mullen, N Goldman The Journal of Physical Chemistry C 124 (38), 20881-20888, 2020 | 8 | 2020 |
Mechanisms of rare events in condensed phases RG Mullen University of California, Santa Barbara, 2014 | | 2014 |