QuantumDNA is an open-source Python package for simulating exciton and charge transfer in DNA using quantum mechanical methods. Designed for interdisciplinary research, it combines a user-friendly GUI with efficient tools for statistical screening of DNA sequences.

Automate the discovery of stable 2D materials stacked on substrates (either another 2d or substrate surface)! Compute the properties of the interacting system!

quantifying specific ion effects through charge transfer models

Fragment decomposition analysis tool for electronic coupling in charge transfer process of organic semiconductors

CDFT Development Branch for CP2K

Middleware library providing touch sensing support for STM32 microcontrollers and leveraging the Touch Sensing Controller (TSC) peripheral, based on a charge transfer mechanism, as well as hardware-assisted touch sensing.

Splitting methods for semi-classical Hamiltonian dynamics of charge transfer in nonlinear lattices

Quadratic models in chemical reactivity theory