Program for simulating linear absorption, SFG, population transfer, 2DIR,
2DUVvis, and 2DSFG. Available via github or request from author.
Download
NISE3 from github. For most applications the it is recommended using
our new programme NISE 2017, see below.
NISE 2017
This programme is the next generation software for Computational Spectrocopy. It
allows simulating linear absorption, linear dichroism, luminesence,
population transfer, 2DIR, 2DUVvis, and provides a number of analysis
techniques. The program allows use of MPI and OpenMP for efficient
parallel computations. Download at
github.
NISE Tutorials
A number of tutorial examples have been created for NISE. Download them at
github. The examples
include a simple dimer system, and models of the LH2, FMO, and LHCII
light-harvesting systems.
AIM
Interface program for GROMACS, AMBER, CHARMM, etc. for constructing the
amide I Hamiltonian, transition dipoles and transition polarizabilities
as needed for simulating amide I spectra with the NISE3 program. Available
via github or on request from author.
Download AIM from github.
