9 skills found
compas / GraspGeneral Relativistic Atomic Structure Package
fkfest / ElemCo.jlJulia implementation of various electron-correlation methods (main focus on coupled cluster methods).
HoyLab-Rowan / RUQTFortran code for performing Landauer NEGF calculations using advanced electronic structure methods particularly parametric 2-RDM (NEGF-RDM) and multi-configuration pair density functional theory (NEGF-MCPDFT).
arijitthegame / Quantum HamiltoniansAccompanying code for the paper "Learning Potentials of Quantum Systems using Deep Neural Networks" by Sehanobish et al and the followup work "Learning Full Configuration Interaction Electron Correlations with Deep Learning"
llliuxz / EMRegElectron Microscopy Image Registration using Correlation Volume
etano / 3DHEGEnergies, pair correlation functions, and structure factors for the 3-dimensional homogeneous electron gas (3DHEG)
HoyLab-Rowan / PyRUQTModular Python Code for Multiconfigurational Non-Equilibrium Green's Function Methodologies
filipecosta90 / Im2model AppIm2Model -- Msc. Thesis regarding efficient computation to refine atomic models for TEM image simulation and matching. Im2Model combines transmission electron microscopy, image correlation and matching procedures, enabling the determination of a three-dimensional atomic structure based strictly on a single high-resolution experimental image.
bangconghuynh / Mqm2019posterMQM2019 Poster
