OpenQuantumComputing / chemistry
quantum chemistry
☆13Updated 4 years ago
Alternatives and similar repositories for chemistry:
Users that are interested in chemistry are comparing it to the libraries listed below
- main repository for code☆20Updated last year
- SWIM - Surface Water Integrated Modeling☆12Updated last week
- Some initial code for simple QRC examples on discrete states☆22Updated last week
- Experimental framework for automatic differentiation finite-volume simulators☆62Updated this week
- Battery modelling using Jutul.jl and BattMo in MRST☆19Updated this week
- Reservoir simulation in Julia: Multi-phase, multi-component Darcy flow based on Jutul.jl☆95Updated this week
- ☆23Updated last month
- Official GitHub repository for MRST - the MATLAB Reservoir Simulation Toolbox☆74Updated this week
- This package is a flexible python implementation of the Quantum Approximate Optimization Algorithm /Quantum Alternating Operator ansatz (…☆38Updated 3 months ago
- Continuum modelling for electrochemical devices.☆45Updated last week
- ☆28Updated 2 months ago
- JutulDarcyRules: ChainRules extension to Jutul and JutulDarcy☆11Updated 3 weeks ago
- Innovative, efficient, and computational-graph-based finite element simulator for inverse modeling☆83Updated 3 years ago
- Efficient, Accurate, and Streamlined Training of Physics-Informed Neural Networks☆55Updated this week
- Sparse Grid Discretization with the Discontinuous Galerkin Method for solving PDEs☆48Updated 5 years ago
- HOHQMesh.jl is a Julia wrapper for the HOHQMesh mesh generator, which allows to produce curved quadrilateral and hexahedral meshes for hi…☆35Updated 3 weeks ago
- DPFEHM: A Differentiable Subsurface Flow Simulator☆34Updated 5 months ago
- Julia implementation of steam tables according to IAPWS Industrial Formulation (1997)☆12Updated 10 months ago
- A simple finite volume tool for Julia☆43Updated 2 years ago
- A Julia package for parallel peridynamics simulations☆57Updated this week
- High-level model-order reduction to automate the acceleration of large-scale simulations☆38Updated 3 weeks ago
- Julia-MPI solution of a two-dimensional diffusion equation☆27Updated 3 years ago
- P4est.jl is lightweight Julia wrapper for the p4est C library, which allows to manage multiple connected adaptive quadtrees/octrees in pa…☆38Updated this week
- xSPDE is an extensible toolbox for solving Stochastic Partial Differential Equations.☆12Updated 2 weeks ago
- Automatic Differentiation for Solid Mechanics☆54Updated 3 months ago
- A multigrid package in Julia: smoothed aggregation AMG + geometric multigrid.☆18Updated last year
- FerroX is a massively parallel, 3D phase-field simulation framework for modeling ferroelectric materials based scalable logic devices.☆17Updated 7 months ago
- Data sets intended for integration and regression testing reservoir simulations☆29Updated this week
- MUMPS interface for Julia☆17Updated 2 years ago
- Provides PETSc solvers to the Gridap project☆32Updated 3 weeks ago