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Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

Quantum ⭐ 501

Powerful multi-threaded coroutine dispatcher and parallel execution engine

The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation.

Trotter Suzuki Mpi ⭐ 27

Massively Parallel Trotter-Suzuki Solver

Quantumcomputingevolutionaryalgorithmdesign ⭐ 17

A C++ program to both simulate a quantum computer and use parallel evolutionary techniques to design algorithms for it.

Massively parallel software for quantum chemistry calculations

QXMD: Non-adiabatic Quantum Molecular Dynamics Simulation Engine

Vasp Lammps Installation Tips ⭐ 7

Installation steps for various programs like VASP, LAMMPS, Quantum Espresso, Siesta in parallel

Q E Sirius ⭐ 6

SIRIUS-enabled Quantum ESPRESSO

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