Fast & Accurate Computational Chemistry Tools
FAccTs is a spin-off of the Max-Planck-Institute for Chemical Energy Conversion. Our mission is to bring academic innovation to industry, providing fast & accurate simulation tools for chemical and pharmaceutical R&D.
Our core product is the quantum-chemical software package ORCA. ORCA is the to-date one and only software package that overcomes the conflict of speed and accuracy in quantum-chemical simulations. With a strong user base of more than 15.000 users, we do not only have the user in mind, but on the team.
FAccTs is your partner for innovation.
Research powered by Orca
Fast & Accurate QM/MM and Molecular Dynamics Simulations
The popular molecular dynamics suite NAMD goes quantum! We are proud that the developers of NAMD have chosen ORCA as native quantum-chemistry package for this […]
Thermodynamics of metabolic reactions from quantum chemistry
Thermodynamics is fundamental for understanding design principles of natural metabolic processes and for engineering new efficient metabolic pathways. Accurate standard Gibbs reaction energies for biochemical […]
Simulation paves the way for the discovery of conformation-driven quantum interference
Imagine an electronic component that can translate the tiniest mechanical input into an exponential change in conductance. This amazing capability could be provided by molecular […]