Username: sergiy-izvyekov Title: Dr. First Name: Sergey Last Name: Izvekov Published Name: Sergey Izvekov OpenKIM User ID: bbe1fcca-d6cb-4538-9e2e-5e7aa7e20f4a Email: sergiy.izvyekov.civ@mail.mil Institution: U. S. Army Research Laboratory Department: Weapons and Materials Research Directorate Country: US Website: https://www.arl.army.mil Biography: Description of Work: Bottom-up atomistic and CG force fields using force-matching and multiscale coarse-graining (MS-CG) methods. Materials Atomistic: Water, Silica, HF. Coarse-grained: RDX, Polymers, Nitromethane, Alcohols, Ionic Liquids. Bibliography Izvekov, S. and B. M. Rice (2015). "A new parameter-free soft-core potential for silica and its application to simulation of silica anomalies." Journal of Chemical Physics 143(24): 244506-244518. Izvekov, S. and J. M. J. Swanson (2011). "Using force-matching to reveal essential differences between density functionals in ab initio molecular dynamics simulations." Journal of Chemical Physics 134(19): 194109-194114. Rosch, T. W., J. K. Brennan, S. Izvekov and J. W. Andzelm (2013). "Exploring the ability of a multiscale coarse-grained potential to describe the stress-strain response of glassy polystyrene." Physical Review E 87(4): 042606-042614. Izvekov, S., P. W. Chung and B. M. Rice (2011). "Particle-based multiscale coarse graining with density-dependent potentials: Application to molecular crystals (hexahydro-1,3,5-trinitro-s-triazine)." Journal of Chemical Physics 135(4): 044112-044117. Izvekov, S. and G. A. Voth (2005). "Multiscale coarse graining of liquid-state systems." Journal of Chemical Physics 123(13): 134105-134113. Izvekov, S. and G. A. Voth (2005). "A multiscale coarse-graining method for biomolecular systems." Journal of Physical Chemistry B 109(7): 2469-2473. Izvekov, S., M. Parrinello, C. J. Burnham and G. A. Voth (2004). "Effective force fields for condensed phase systems from abinitio molecular dynamics simulation: A new method for force-matching." Journal of Chemical Physics 120(23): 10896-10913. Contributor of the following OpenKIM content: Developer of the following OpenKIM content: Implementer of the following OpenKIM content: