RESCU+ is the newly designed and enhanced version of RESCU.

Written in Python and Fortran, it comes with new Python calculators and provides extra scalability for supercomputing platforms. It is fully compatible with our new quantum transport tool NanoDCAL+.

Battery engineers

RESCU+ is a premium tool to do battery research. Its efficiency can be exploited to perform the complex and computationally intensive ab initio molecular dynamics (AIMD) calculations required by battery R&D faster and at lower cost.

Chemical engineers

Use RESCU+ together with the nudged elastic band (NEB) method to study the catalytic activity of interfaces or surfaces, thus accelerating the pace of experimentation and reducing R&D costs.

Materials engineers

Predict advanced and quantum material functions in silico. The capabilities of RESCU+ are particularly useful in simulating realistic materials - doped semiconductors, VdW heterostructures, alloys, heterojunctions, liquid/solid interfaces - whose unit cell contains thousands of atoms.

Academic researchers

Experimentalists and theorists use this convenient and powerful implementation of DFT to compute the ground state properties of molecules, interfaces and crystals from first principles.

Main features:

• Very large atom systems (100k+ atoms)
• Fast & parallel solver
• Python integration
• Ion dynamics
• Ground state properties
• Spin
• Atomic orbitals and pseudopotentials