charge-transfer

There are 0 repository under charge-transfer topic.

cmdlab / Hetero2d
Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of the interacting system!
dft-calculations 2d-materials automation heterostructure charge-transfer density-of-states
Language:Python 10
lcmd-epfl / FB-ECDA
Fragment decomposition analysis tool for electronic coupling in charge transfer process of organic semiconductors
fb-ecda organic-semiconductors charge-transfer electronic-coupling eda fragment-decomposition
Language:Python 4
mqcomplab / SIE_descriptors
quantifying specific ion effects through charge transfer models
dft ions python charge-transfer
Language:Python 3
nholmber / cp2k-cdft-dev
CDFT Development Branch for CP2K
cp2k fortran simulation computational-chemistry computational-physics electron-transfer charge-transfer
Language:Fortran 2
jbajars / SplittingMethods
Splitting methods for semi-classical Hamiltonian dynamics of charge transfer in nonlinear lattices
semi-classical-hamiltonian-dynamics charge-transfer lattice-models symplectic-integrators discrete-breathers intrinsic-localized-modes splitting-methods
Language:MATLAB 0

cmdlab / Hetero2d