OpenMC Monte Carlo Code
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Updated
Jul 5, 2024 - Python
OpenMC Monte Carlo Code
The nutils project
Neural network based solvers for partial differential equations and inverse problems 🌌. Implementation of physics-informed neural networks in pytorch.
Python library for reading, writing, and converting computational chemistry file formats and generating input files.
A Python module implementing some standard algorithms used in nonlinear time series analysis
Using Physics-Informed Deep Learning (PIDL) techniques (W-PINNs-DE & W-PINNs) to solve forward and inverse hydrodynamic shock-tube problems and plane stress linear elasticity boundary value problems
[ICLR'24] EquiformerV2: Improved Equivariant Transformer for Scaling to Higher-Degree Representations
Teaching Utility for Classical Atomistic Simulation.
Code and resources for the EPSRC BioSimSpace project.
A lightweight computational physics framework, based on the organization of turboWAVE. Implements a "Simulation, PhysicsModule, ComputeTool, Diagnostic" class hierarchy.
A python script that solves the one dimensional time-independent Schrodinger equation for bound states. The script uses a Numerov method to solve the differential equation and displays the desired energy levels and a figure with an approximate wave function for each of these energy levels.
Basics on Exact Diagonalization
Dataset of topology optimization
Differentiable Quantum Chemistry (only Differentiable Density Functional Theory and Hartree Fock at the moment)
3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
Python package for temporal evolution of initial conditions under the generalized Lugiato-Lefever equation
An interoperable Python framework for biomolecular simulation.
mechanoChemML library
Simple and efficient Python package for modeling d-dimensional Bravais lattices in solid state physics.
Scientific Python package for solving Slater Koster tight-binding topological hamiltonian
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