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5 followers · 3 following

Achievements

Achievement: Pull Sharkx2Achievement: Pair ExtraordinaireAchievement: Arctic Code Vault Contributor

Achievements

Achievement: Pull Sharkx2Achievement: Pair ExtraordinaireAchievement: Arctic Code Vault Contributor

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EricaCMitchell/README.md

Interested in:

  • ⚛️ Electronic Structure Theory
  • 🖥️ High-Performance Computing
  • 🔎 Numerical Analysis
  • 🔀 Automatic Differentiation

Projects:

  • MPQC4 (private) - Massively Parallel Quantum Chemistry platform (v4) is a research package for ab initio simulation of the electronic structure of molecules and periodic solids.
  • MADNESS - Multiresolution Adaptive Numerical Environment for Scientific Simulation provides a high-level environment for the solution of integral and differential equations in many dimensions using adaptive, fast methods with guaranteed precision based on multi-resolution analysis and novel separated representations
  • Quax - Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
  • Psi4 - Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

Contact:

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  1. m-a-d-n-e-s-s/madness m-a-d-n-e-s-s/madness Public

    Multiresolution Adaptive Numerical Environment for Scientific Simulation

    C++ 208 70

  2. psi4 psi4 Public

    Forked from psi4/psi4

    Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

    C++

  3. Quax Quax Public

    Forked from CCQC/Quax

    Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.

    Python

  4. mp2f12 mp2f12 Public

    MP2-F12/3C(FIX) plugin to Psi4

    C++ 1