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Modelling Photodissociation: Quantum Dynamics Simulations of Methanol
Data supporting the calculations in the paper. These include the input and output and database files for the Quantics program to run DD-vMCG simulations of the photodissociation... -
Non-Adiabatic Direct Quantum Dynamics using Force Fields: Towards Solvation
Data supporting the calculations in the paper. These include the input and output files for the Quantics program to run vMCG and ML-MCTDH simulations of a uracil vibronic... -
Quantum dynamics of excited state proton transfer in green fluorescent protein
Data supporting the calculations in the paper. These include the input and output files for the Quantics program to run DD-vMCG and iMCG simulations of a GFP cluster model, as... -
Quantics input files for 1,1-difluoroethylene
Input and operator files to calculate state populations and spectra of photo-excited 1,1-difluoroethylene using the Quantics program. Theses files can be used together with... -
Cyclohexadiene and Butatriene MCTDH/vMCG/TSH
The datasets contain the results from quantum dynamics simulations on cyclohexadiene and butatriene using both analytical potentials and direct dynamics. They were produced...
