Contributor

PhD in Computational Chemistry with vast experience in High Performance Computing. Main interests lie in the development of new methodologies in theoretical chemistry, their efficient and parallel implementations on supercomputer heterogeneous architectures. The publication record includes papers in highly ranked journals like Nature, Science, Nature Comm, PNAS, JACS. The non-commercial and open-source software contributions, in particular into ORCA and DALTON molecular electronic structure packages, are used by thousands of researchers worldwide on a daily basis. INCITE Computational Readiness Lead (2019-2024). Joint Faculty Assistant professor at the University of Tennessee, Knoxville. HPC support for projects in computation chemistry, drug discovery, enzymatic catalysis, homogeneous catalysis, materials.