Paul Erhart

Paul Erhart is a Professor in Condensed Matter and Materials Theory at the Department of Physics, Chalmers University. He received his PhD from Technische Universität Darmstadt in 2006, followed by postdoctoral and staff positions at Lawrence Livermore National Laboratory from 2007, before joining Chalmers in 2011. His research bridges computational physics, materials science, and machine learning to tackle fundamental problems in materials design and characterization.

Dr. Erhart's research focuses on computational materials science with particular emphasis on condensed matter physics, nanomaterials, and quantum materials. His work spans from developing computational methods like machine-learned potentials (GPUMD, neuroevolution potentials) to studying fundamental phenomena in perovskites, 2D materials, thermal transport, and plasmonics. He has pioneered approaches connecting simulation with experimental techniques through correlation functions and has made significant contributions to understanding phase transitions, defect physics, and electronic structure in complex materials systems.

Analysis of his recent publications reveals a strong trend toward integrating machine learning with traditional computational physics methods. His work increasingly focuses on developing and applying neuroevolution potentials to study thermal properties, phase transitions, and optical phenomena in materials. There's also a clear emphasis on connecting computational results with experimental observations, particularly in neutron scattering, Raman spectroscopy, and plasmonic sensing applications. His research spans fundamental materials physics to applied areas like hydrogen sensing and sustainable materials development.

Dr. Erhart has contributed to numerous software packages essential to the computational materials science community, including WulffPack for Wulff constructions, Dynasor for extracting dynamical structure factors, calorine for neuroevolution potential models, and ICET for alloy cluster expansions. His collaborative work spans multiple institutions and disciplines, reflecting the interdisciplinary nature of modern materials research. His contributions to understanding perovskite materials, thermal transport phenomena, and plasmonic systems have established him as a leading researcher in computational materials science.