Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of the interacting system!
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May 8, 2023 - Python
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charge-transfer
Here are 6 public repositories matching this topic...
QuantumDNA is an open-source Python package for simulating DNA charge transfer and excited states using quantum methods, featuring a user-friendly GUI, and support for interdisciplinary research in physics, chemistry, biology, and medicine.
physics dna relaxation charge-transfer exciton open-quantum-systems electron-hole exciton-lifetime charge-separation
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Jan 22, 2025 - Python
Fragment decomposition analysis tool for electronic coupling in charge transfer process of organic semiconductors
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Apr 26, 2021 - Python
quantifying specific ion effects through charge transfer models
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Apr 16, 2023 - Python
CDFT Development Branch for CP2K
fortran simulation computational-chemistry computational-physics cp2k electron-transfer charge-transfer
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Dec 9, 2018 - Fortran
Splitting methods for semi-classical Hamiltonian dynamics of charge transfer in nonlinear lattices
charge-transfer lattice-models symplectic-integrators semi-classical-hamiltonian-dynamics splitting-methods intrinsic-localized-modes discrete-breathers
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Jul 20, 2023 - MATLAB
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