Thomas la Cour Jansen's Projects
Utility program for GROMACS calculating the amide I Hamiltonian for peptides and proteins
Repository containing program to calculate the absorption spectrum and band dispersion of 1D aggregates.
Analysis tool for GROMACS trajectories extracting electric fields and atomic positions from trajectories.
Config files for my GitHub profile.
My first repository - sure everyone will be excited
This is a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2DIR, 2DES, 2DSFG, and F-2DES)
This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2DIR, 2DES, 2DSFG, and F-2DES).
A collection of examples for NISE spectral simulations
Serial code for openMP exercise for parallel programming course
Physics Models for Nonlinear Optics and Statistical Mechanics
Open-Source Quantum Chemistry ā an electronic structure package in C++ driven by Python