Christoph Klein
Christoph Klein
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Cited by
MDTraj: A Modern Open Library for the Analysis of Molecular Dynamics Trajectories
RT McGibbon, KA Beauchamp, MP Harrigan, C Klein, JM Swails, ...
Biophysical Journal 109, 1528-1532, 2015
OpenMM 4: a reusable, extensible, hardware independent library for high performance molecular simulation
P Eastman, MS Friedrichs, JD Chodera, RJ Radmer, CM Bruns, JP Ku, ...
Journal of chemical theory and computation 9 (1), 461-469, 2013
Lessons learned from comparing molecular dynamics engines on the SAMPL5 dataset
MR Shirts, C Klein, JM Swails, J Yin, MK Gilson, DL Mobley, DA Case, ...
Journal of computer-aided molecular design 31 (1), 147-161, 2017
A hierarchical, component based approach to screening properties of soft matter
C Klein, J Sallai, TJ Jones, CR Iacovella, C McCabe, PT Cummings
Foundations of Molecular Modeling and Simulation, 79-92, 2016
Formalizing atom-typing and the dissemination of force fields with foyer
C Klein, AZ Summers, MW Thompson, JB Gilmer, C McCabe, ...
Computational Materials Science 167, 215-227, 2019
Tunable transition from hydration to monomer-supported lubrication in zwitterionic monolayers revealed by molecular dynamics simulation
C Klein, CR Iacovella, C McCabe, PT Cummings
Soft Matter 11 (17), 3340-3346, 2015
Web-and cloud-based software infrastructure for materials design
J Sallai, G Varga, S Toth, C Iacovella, C Klein, C McCabe, A Ledeczi, ...
Procedia Computer Science 29, 2034-2044, 2014
Perfluoropolyethers: development of an all-atom force field for molecular simulations and validation with new experimental vapor pressures and liquid densities
JE Black, GMC Silva, C Klein, CR Iacovella, P Morgado, LFG Martins, ...
The Journal of Physical Chemistry B 121 (27), 6588-6600, 2017
Idea Paper: Development of a Software Framework for Formalizing Forcefield Atom-Typing for Molecular Simulation
CR Iacovella, J Sallai, C Klein, T Ma
4th Workshop on Sustainable Software for Science: Practice and Experiences …, 2016
Zwitterionic Contribution to the Hydration Lubrication Dynamics of Poly (2-methacryloyloxyethyl phosphorylcholine)
JB Gilmer, C Klein, WL Roussell, C Iacovella, PT Cummings, C McCabe
2018 AIChE Annual Meeting, 2018
MoSDeF: Molecular Simulation and Design Framework
PT Cummings
2018 AIChE Annual Meeting, 2018
Foyer: A Framework for Defining Force Field Usage Semantics and Atom-Typing Molecular Systems
C Klein, AZ Summers, PT Cummings, J Sallai, CR Iacovella, C McCabe
2017 AIChE Annual Meeting, 2017
Screening Self-Assembled Monolayers for Lubrication Properties: Trends and Pitfalls
CR Iacovella, C Klein, TJ Jones, C McCabe, PT Cummings
2017 AIChE Annual Meeting, 2017
Hydration Structure and Dynamics of Poly (2-methacryloyloxyethyl phosphorylcholine)
C Klein, WL Roussell, CR Iacovella, C McCabe, PT Cummings
2017 AIChE Annual Meeting, 2017
Validation of Computational Models and Codes
CR Iacovella, C Klein, J Sallai, AE Ismail
Introduction to Scientific and Technical Computing, 275-288, 2016
Supporting information for:" Tunable Transition from Hydration to Monomer-Supported Lubrication in Zwitterionic Monolayers Revealed by Molecular Dynamics Simulation
C Klein, CR Iacovella, C McCabe, PT Cummings
Molecular Origins of the Ultra-Low Friction Exhibited by Biocompatible Zwitterionic Polymer Brushes
WL Roussell, C Klein, CR Iacovella, PT Cummings, C McCabe
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