Skip to content
View EricaCMitchell's full-sized avatar
5 followers · 2 following

Achievements

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

Achievements

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

Highlights

  • Pro

Block or report EricaCMitchell

Block user

Prevent this user from interacting with your repositories and sending you notifications. Learn more about blocking users.

You must be logged in to block users.

Please don't include any personal information such as legal names or email addresses. Maximum 100 characters, markdown supported. This note will be visible to only you.
Report abuse

Contact GitHub support about this user’s behavior. Learn more about reporting abuse.

Report abuse
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.
  • 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:

Pinned Loading

  1. psi4 psi4 Public

    Forked from psi4/psi4

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

    C++

  2. Quax Quax Public

    Forked from CCQC/Quax

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

    Python