Virtual Chemsitry
Computational Design Optimization and Inverse Problems for Wave Propagation Problems
A multiscale modelling platform for Materials Chemistry
Multiscale modeling of Magnetization Dynamics
A unified theory of the rare-earth elements
Automated and scalable predictive modeling in drug discovery with cloud computing, micro-services and Big Data frameworks
Grid research
Non-adiabatic chemical processes: chemistry beyond the Born–Oppenheimer approximation
