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Company:Technical University of Denmark (DTU)
Location:Kgs. Lyngby, Denmark
Home Page:https://tcbc-group.org
Twitter:@foeroyingur
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The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.
eChem: Jupyter book on theoretical chemistry
A flexible package manager that supports multiple versions, configurations, platforms, and compilers.