Dynamics of Condensed Matter @ Paderborn University
Hosting software projects developed by the research group of Prof. Dr. Thomas Kühne at the Paderborn University.
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- Paderborn, Germany
- https://upb.de/dcm
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- QNets Public archive
C++ library that allows to use (Feed Forward) Neural Networks in C++ with a few simple commands.
- SFG-spectra-tool Public
This program computes the sum-frequency generation (SFG) spectrum for a give MD trajectory of interfacial water molecules. The program can applied to planar, cylindrical and spherical interfaces
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- NNVMC Public archive
C++ library for Variational Monte Carlo simulations with Neural Networks as trial wavefunctions.
- dippol Public Forked from RemiKhatib/dippol
Dipole-induced dipole model: Calculating condensed phase molecular dipole moments and polarizabilities based on atomic positions and (ab initio) gas phase dipoles and (hyper)polarizabilities
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