CompChem Project Ideas for an Undergrad?

This page summarizes the projects mentioned and recommended in the original post on /r/comp_chem
quantum-chemistry tight-binding computational-chemistry atomistic-simulations force-field

WorkOS
Our great sponsors
  • WorkOS - The modern identity platform for B2B SaaS
  • InfluxDB - Power Real-Time Data Analytics at Scale
  • SaaSHub - Software Alternatives and Reviews
Our great sponsors

  • xtb

    Semiempirical Extended Tight-Binding Program Package

    • I would recommend getting xtb (https://github.com/grimme-lab/xtb) and exploring some possibilities. The calculations are lightning-fast, so you have a quick feedback loop and you can quickly test different ideas. You can look at recent publications to get an idea of what people are doing.

  • WorkOS

    The modern identity platform for B2B SaaS. The APIs are flexible and easy-to-use, supporting authentication, user identity, and complex enterprise features like SSO and SCIM provisioning.

    WorkOS logo
NOTE: The number of mentions on this list indicates mentions on common posts plus user suggested alternatives. Hence, a higher number means a more popular project.

Suggest a related project

Related posts