Cutting Edge

With a strong user base of more than 15.000 registered users in academia worldwide, ORCA is the fastest growing quantum-chemical software package to date.  ORCA provides cutting-edge methods in the fields of density functional theory as well as correlated wave-function based methods.

Fast & Accurate

Of course, ORCA is fully parallelized. Of course, ORCA features approximations as the resolution-of-the-identity that allow you to speed up your calculations. But ORCA goes further than that.

ORCA features a set of methods referred to as domain-based local pair natural orbital methods - DLPNO methods for short. These combine speed and accuracy in a unique way, overcoming the conflict between speed and accuracy that has so far limited the applicability of quantum-chemical methods, especially in commercial applications.

With ORCA, you can perform linear scaling CCSD(T) calculations using DLPNO-CCSD(T), reaching experimental accuracy at the cost of a simple DFT calculation. ORCAs DLPNO capabilities are also available for multi-reference systems as well as for the calculation of properties.

One For All

ORCA is a multi-purpose quantum-chemical software package. It features a wide variety of methods ranging from semi-empirical methods to density functional theory to correlated single- and multi-reference wave-function based methods. Environmental as well as relativistic effects can be taken into account. ORCA is the leading software tool in the calculation of spectroscopic properties of open-shell molecules.

Easy To Use

ORCA is designed and developed not only with the user in mind, but on the team. Computational chemists and physicists work hand in hand with spectroscopists and bench chemists to develop a software that benefits all.

ORCA interfaces with a range of graphical user interfaces that allow easy access and control. A comprehensive manual as well as online tutorials get you started quickly.

Smooth & Effective

We provide efficient and optimized workflows that fit ORCA into your work routines. For each process there is a minimal effort for it to complete successfully. We are dedicated to identify and realize this minimal effort. Because we know that time and energy are precious resources that should not be wasted.

Expert & Agile

We provide expertise, experience and knowledge across the three disciplines biology, chemistry and physics. 

Contact us to find out how to bring our experience to your service!