Username: erhart Title: Prof. First Name: Paul Last Name: Erhart Published Name: Paul Erhart OpenKIM User ID: 49b4cbc5-706d-457f-9b77-e7c08bade0ba Institution: Chalmers University of Technology Department: Physics Country: SE Website: https://www.materialsmodeling.org Biography: Description of Work: I have extensive experience with several different types of interatomic potential formats, in particular for multi-component systems. Specifically, I have developed a number of potentials based on the analytic bond-order potential (ABOP) formalism as well as the versions of the embedded atom method (EAM) suitable for alloys. I also work on the implementation and application of these potentials not only in molecular dynamics and statics simulations but Monte Carlo simulations. More recently, our activities in this area are focused on the development of efficient codes for potential construction that enable the rapid and at least semi-automated generation of potentials for targeted applications. In particular, we have developed the atomicrex code (https://atomicrex.org), which provides a powerful tool for constructing various interatomic potential models including but not limited to e.g., EAM, MEAM, ABOP, and Stillinger-Weber potentials. Materials Si, C, Si-C (ABOP) W, C, H, W-C, W-C-H (ABOP) Zn, O, Zn-O (ABOP) Fe, Pt, Fe-Pt (ABOP) Fe-Cr (CD-EAM) Ga-N (ABOP) Bibliography https://scholar.google.se/citations?user=CWZrX_YAAAAJ&hl=sv&oi=ao Contributor of the following OpenKIM content: Developer of the following OpenKIM content: Sim_LAMMPS_EAMCD_StukowskiSadighErhart_2009_FeCr__SM_775564499513_000 Sim_LAMMPS_Polymorphic_NordAlbeErhart_2003_GaN__SM_333071728528_000 Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_003 Tersoff_LAMMPS_ErhartAlbe_2005SiII_SiC__MO_408791041969_004 Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_004 Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005 Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_003 Tersoff_LAMMPS_ErhartJuslinGoy_2006_ZnO__MO_616776018688_004 Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_003 Tersoff_LAMMPS_MuellerErhartAlbe_2007_Fe__MO_137964310702_004 Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_003 Tersoff_LAMMPS_NordAlbeErhart_2003_GaN__MO_612061685362_004 Tersoff_LAMMPS__MD_077075034781_004 Tersoff_LAMMPS__MD_077075034781_005 Implementer of the following OpenKIM content: