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i-PI: A Python interface for ab initio path integral molecular dynamics simulations.
Michele Ceriotti
Joshua More
David E. Manolopoulos
Published in:
Comput. Phys. Commun. (2014)
Keyphrases
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molecular dynamics
molecular dynamics simulations
graphical user interface
high performance computing
scientific data
protein folding
programming language
open source
user friendly
user interface
programming tool
database
image sequences