| 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 | 147 | 2017 |
| Structure and Dynamics of Neat and CO2-Reacted Ionic Liquid Tetrabutylphosphonium 2-Cyanopyrrolide H Wu, JK Shah, CM Tenney, TW Rosch, EJ Maginn Industrial & engineering chemistry research 50 (15), 8983-8993, 2011 | 62 | 2011 |
| Reaction ensemble Monte Carlo simulation of complex molecular systems TW Rosch, EJ Maginn Journal of Chemical Theory and Computation 7 (2), 269-279, 2011 | 52 | 2011 |
| Exploring the ability of a multiscale coarse-grained potential to describe the stress-strain response of glassy polystyrene TW Rosch, JK Brennan, S Izvekov, JW Andzelm Physical Review E 87 (4), 042606, 2013 | 41 | 2013 |
| Investigation of the phase behavior of an embedded charge protein model through molecular simulation TW Rosch, JR Errington The Journal of Physical Chemistry B 111 (43), 12591-12598, 2007 | 35 | 2007 |
| Bayesian calibration of coarse-grained forces: Efficiently addressing transferability PN Patrone, TW Rosch, FR Phelan The Journal of chemical physics 144 (15), 2016 | 17 | 2016 |
| Fluid phase behavior of a model colloid-polymer mixture: Influence of polymer size and interaction strength TW Rosch, JR Errington The Journal of chemical physics 129 (16), 2008 | 16 | 2008 |
| Phase behavior of model confined fluids. Influence of substrate− fluid interaction strength TW Rosch, JR Errington The Journal of Physical Chemistry B 112 (47), 14911-14919, 2008 | 15 | 2008 |
| Beyond histograms: Efficiently estimating radial distribution functions via spectral Monte Carlo PN Patrone, TW Rosch The Journal of chemical physics 146 (9), 2017 | 6 | 2017 |
| Exploring the Ability of a Coarse-grained Potential to Describe the Stress-strain Response of Glassy Polystyrene TW Rosch, JK Brennan, S Izvekov, JW Andzelm, ... Technical report, Oak Ridge Institute for Science and Education, 2012. 1.2, 2012 | 1 | 2012 |
| Efficient estimation of simulated radial distribution functions via spectral Monte Carlo TW Rosch, P Patrone Thomas W. Rosch, Paul Patrone, 2017 | | 2017 |
| An Integrated Computational and Data Environment to Support Multiscale Modeling of Soft Materials for the Materials Genome Initiative F Phelan Jr, T Rosch, C Jeong, B Moroz, S Youssef APS March Meeting Abstracts 2017, K33. 004, 2017 | | 2017 |
| Baysian calibration of multiple properties for transferable coarse-grained force fields T Rosch, P Patrone, F Phelan ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
| Development of a data infrastructure for progressive modeling of polymers and soft materials at multiple levels of granularity F Phelan, T Rosch, C Jeong, H Sun ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 252, 2016 | | 2016 |
| Beyond histograms: efficiently estimating radial distribution functions via spectral Monte Carlo TW Rosch, PN Patrone arXiv preprint arXiv:1607.03429, 2016 | | 2016 |
| Bayesian Calibration of Transferable, Coarse-Grained Force Fields TW Rosch, FR Phelan Jr, P Patrone Thomas W. Rosch, Frederick R. Phelan Jr., Paul Patrone, 2016 | | 2016 |
| Development of an integrated, computational data environment to support multiscale modeling of soft materials for the materials genome initiative F Phelan, T Rosch, C Jeong, B Moroz, S Youssef ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 251, 2016 | | 2016 |
| Bottom Up Approaches to Improved Polyolefin Measurements S Orski, TW Rosch, A Kotula, RJ Sheridan, FR Phelan Jr, K Migler, ... Sara Orski, Thomas W. Rosch, Anthony Kotula, Richard J. Sheridan, Frederick …, 2016 | | 2016 |
| Examination of nanoparticle dispersion using a novel GPU based radial distribution function code T Rosch, M Wade, F Phelan APS March Meeting Abstracts 2016, B38. 003, 2016 | | 2016 |
| Trading certainty for speed: Extrapolating uncertainty due to coarse-graining of molecular dynamics simulations T Rosch, P Patrone, F Phelan ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 250, 2015 | | 2015 |
