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Thomas W Rosch
Thomas W Rosch
Bestätigte E-Mail-Adresse bei nist.gov - Startseite
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Zitiert von
Zitiert von
Jahr
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
1582017
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
632011
Reaction ensemble Monte Carlo simulation of complex molecular systems
TW Rosch, EJ Maginn
Journal of Chemical Theory and Computation 7 (2), 269-279, 2011
522011
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
422013
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
352007
Bayesian calibration of coarse-grained forces: Efficiently addressing transferability
PN Patrone, TW Rosch, FR Phelan
The Journal of chemical physics 144 (15), 2016
172016
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
162008
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
152008
Beyond histograms: Efficiently estimating radial distribution functions via spectral Monte Carlo
PN Patrone, TW Rosch
The Journal of chemical physics 146 (9), 2017
62017
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
12012
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
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