Richard J Gowers

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Oliver BecksteinCenter for Biological Physics, Department of Physics, Arizona State UniversityVerified email at asu.edu
Sean L SeylerSchool of Molecular Sciences, Arizona State UniversityVerified email at asu.edu
Tyler ReddyStaff Scientist, Los Alamos National LaboratoryVerified email at dal.ca
Ian Michael KenneyPostdoctoral Research Scholar, Arizona State UniversityVerified email at asu.edu
Jonathan BarnoudCentro Singular de Investigación en Tecnoloxías Intelixentes (CiTIUS) Universidade de Santiago deVerified email at usc.es
Manuel N. MeloITQB NOVAVerified email at itqb.unl.pt
Sébastien BuchouxUniversité Picardie Jules VerneVerified email at u-picardie.fr
Paola CarboneThe University of ManchesterVerified email at manchester.ac.uk
Lev SarkisovProfessor, Department of Chemical Engineering, the University of ManchesterVerified email at manchester.ac.uk
Amir FarmahiniImmaterial Ltd.Verified email at uqconnect.edu.au
Nicodemo Di PasqualeProfessor of Chemical Engineering, University of BolognaVerified email at unibo.it
Roger DaveyUniversity of ManchesterVerified email at manchester.ac.uk
Daniel FriedrichUniversity of EdinburghVerified email at ed.ac.uk

Richard J Gowers

Open Molecular Software Foundation

Verified email at omsf.io - Homepage

Computational chemistry


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MDAnalysis: a Python package for the rapid analysis of molecular dynamics simulations RJ Gowers, M Linke, J Barnoud, TJE Reddy, MN Melo, SL Seyler, ... Proceedings of the 15th Python in Science Conference 98, 2016	1103	2016
A multiscale approach to model hydrogen bonding: The case of polyamide RJ Gowers, P Carbone The Journal of chemical physics 142 (22), 224907, 2015	83	2015
Ostwald's rule and enantiotropy: polymorph appearance in the crystallisation of p-aminobenzoic acid JFB Black, RJ Davey, RJ Gowers, A Yeoh CrystEngComm 17 (28), 5139-5142, 2015	32	2015
Automated analysis and benchmarking of GCMC simulation programs in application to gas adsorption RJ Gowers, AH Farmahini, D Friedrich, L Sarkisov Molecular Simulation, 1-13, 2017	30	2017
A multiple time step scheme for multiresolved models of Macromolecules N Di Pasquale, RJ Gowers, P Carbone Journal of computational chemistry 35 (16), 1199-1207, 2014	16	2014
PMDA–Parallel Molecular Dynamics Analysis S Fan, M Linke, I Paraskevakos, RJ Gowers, M Gecht, O Beckstein Proceedings of the 18th Python in Science Conference, Calloway C, Lippa D …, 2019	14	2019
A different approach to dual-scale models RJ Gowers, P Carbone, N Di Pasquale Journal of Computational Physics 413, 109465, 2020	10	2020
datreant: persistent, Pythonic trees for heterogeneous data DL Dotson, SL Seyler, M Linke, RJ Gowers, O Beckstein Proc 15th Python Sci Conf, 51-56, 2016	10	2016
Charge transport networks in amorphous organic semiconductors M Matta, R Gowers, C Chapman, G Schatz ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY 258, 2019		2019
Multi-Scale Screening of Porous Materials for Carbon Capture S Krishnamurthy, AH Farmahini, RJ Gowers, D Friedrich, MC Ferrari, ... 2017 AIChE Annual Meeting, 2017		2017
Developing dual-scale models for structured liquids and polymeric materials RJ Gowers PQDT-UK & Ireland, 2016		2016

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