HoyLab-Rowan / pyRUQT Star 2 Code Issues Pull requests Modular Python Code for Multiconfigurational Non-Equilibrium Green's Function Methodologies quantum-chemistry negf greens-functions electron-transport charge-transport electron-correlation nanoelectronics molecular-electronics mc-pdft negf-dft molcas Updated Apr 30, 2024 Python
blaschma / ga_mechano_sens Star 0 Code Issues Pull requests This code is part of "Designing Mechanosensitive Molecules from Building Blocks: A Genetic Algorithm-Based Approach" physics genetic-algorithm molecular-electronics Updated Apr 15, 2023 Python