‘MoSDeF’
Software suite expedites reproducible computer simulations
Jul. 8, 2020— Science moves forward when researchers verify their and others’ results. “Reproducibility in scientific research is a prominent issue, and molecular simulations, which play an important role in many subfields of science and engineering, pose particular computational challenges,” said Peter Cummings, associate dean for research and John R. Hall Professor of Chemical Engineering. To address...
Cummings to present plenary lecture at global thermodynamics conference
Jun. 5, 2019—Peter T. Cummings will present the Molecular Physics Lecture, one of five plenary lectures, at the global Thermodynamics 2019 conference on the coast of Huelva at Punta Umbría, Spain, June 26-28. The lecture—“The Molecular Simulation Design Framework (MoSDeF): Capabilities and Applications”—is sponsored by Taylor & Francis, publishers of the journal Molecular Physics. A division of...
Research dean to teach molecular simulations ‘crash course’ to grad students in Beijing
Jun. 19, 2018—In a one-week intensive course in June, engineering’s associate dean for research will teach molecular simulations to 44 graduate students in Beijing. “I’m presenting a crash course for chemical engineering students on how to perform simulations of materials from the molecule up,” said Peter Cummings, also the John R. Hall Professor of Engineering. Cummings is...