A multiscale modelling platform for Materials Chemistry

Multiscale modeling of Magnetization Dynamics

Automated and scalable predictive modeling in drug discovery with cloud computing, micro-services and Big Data frameworks

Non-adiabatic chemical processes: chemistry beyond the Born–Oppenheimer approximation

A unified theory of the rare-earth elements

Computational Design Optimization and Inverse Problems for Wave Propagation Problems

Virtual Chemsitry

Grid research