Christian Schafmeister and Martin Cracauer
3624 Market St
Philadelphia, PA 19104
Computational chemistry. Web-based frontend for molecular dynamics packages, e.g. free energy perturbation. Software to distribute molecular dynamics calculations to private or cloud-based computing resources, GPU or CPU enabled.
- cell 781-439-5939
"Christian Schafmeister: Bottom up nanotechnology with molecular Lego and llvm" at the LLVM developer meeting 2018
Google Tech Talks "Clasp: Common Lisp using LLVM and C++ for
(note: Google is not involved with ThirdLaw, they were hosting this as part of their regular talks @ google series)
Demo: free energy perturbation in Cando using cl-jupyter based notebooks to blend graphical user interface and language based control and reusability.