Modular Python Code for Multiconfigurational Non-Equilibrium Green's Function Methodologies
Time-dependent quantum electron transport through molecular junctions (e.g. Pt5H2Pt5) under femtosecond laser pulses, solved with Physics-Informed Neural Networks — DFT (GPAW/ASE) Hamiltonians + TensorFlow PINNs
C-G0 Notepad is an open-source Terminal User Interface (TUI) electronic lab notebook (ELN) for rapid data collection, logging, and data-set navigation in molecular electronics and other physics/chemistry labs.
The Tight Binding Funtime Engine: A user friendly, free & open-source GUI application for tight-binding quantum transport simulations using the NEGF formalism. Calculates and visualises transmission spectra on the fly.
This code is part of "Designing Mechanosensitive Molecules from Building Blocks: A Genetic Algorithm-Based Approach"
GZero: break-junction analysis software for single-molecule conductance data (MCBJ / STM-BJ). Histograms, plateau length, correlation, clustering, flicker noise, I-V. TDMS, text and Igor .pxp input.
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