Lubos Mitas

Lubos Mitas is a Distinguished University Professor at the Department of Physics, North Carolina State University, within the College of Sciences. He previously worked at the National Center for Supercomputing Applications (NCSA) at the University of Illinois. His research focuses on computational and theoretical approaches for nanoscience, materials, biomolecular, and quantum systems, emphasizing many-body methods like quantum Monte Carlo (QMC) simulations for electronic structure analysis. He pioneered high-accuracy calculations for atoms, molecules, clusters, and solids, with contributions to node analysis of fermion states and pairing wave functions. He also co-developed spatial interpolation and landscape processes for geospatial modeling.

His work spans fixed-node errors in QMC, effective core potentials for heavy elements, and strain responses in 2D materials like phosphorene. Recent studies include spin-orbit interactions in quantum materials and correlated electronic structures in Chern magnets. Mitas is affiliated with the Center for High Performance Simulation and has been a key contributor to the QMCPACK open-source QMC package.

His publications highlight advancements in computational techniques for correlated electron systems, with a focus on achieving sub-chemical accuracy in property predictions. Collaborations involve developing robust methods for transition metals and lanthanides, advancing both fundamental theory and applied materials science.