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.

Cutting Edge

Fast & Accurate

One-for-All

Easy-to-Use

Smooth & Effective

Expert & Agile

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 […]

Support

ORCA is easy-to-use. All methods are implemented black box. So you won’t need us often. But let’s be realistic: quantum chemical simulations are complex. And so is the software.

We make sure you get started quickly.

And if questions arise later, we’re there to listen and answer. Don’t expect us to stop at the mere technical level. We like to share our scientific expertise and our experience with our users. So feel free to tap our potential.

Workflow Solutions

We know that selling great software is only half the battle. That’s why we spend time and effort on adapting ORCA to your needs.

So that you get the most out of ORCA.

We integrate ORCA into your workflows and routines. So that you can keep your speed up. We don’t want you to build your solutions around our software. We want our software to be part of your solution.

Scientific Consulting

Interested in quantum-chemical simulations, but no one with the necessary expertise on the team? Desperate for simulation results, but no time on your hands?

Profit from our vast scientific experience and our rich expertise in quantum-chemical simulations. Sit back and let us do the simulation.

Dr. Christoph Riplinger

Dr. Barbara Sandhöfer

Prof. Frank Neese