{"bio" "" "city" "Aberdeen Proving Ground" "country" "US" "department" "Weapons and Materials Research Directorate" "description-of-work" "Bottom-up atomistic and CG force fields using force-matching and\r\nmultiscale coarse-graining (MS-CG) methods.\r\n\r\nMaterials\r\nAtomistic: Water, Silica, HF.\r\nCoarse-grained: RDX, Polymers, Nitromethane, Alcohols, Ionic Liquids.\r\n\r\nBibliography\r\nIzvekov, S. and B. M. Rice (2015). \"A new parameter-free soft-core potential for silica and its application to simulation of silica anomalies.\"\r\nJournal of Chemical Physics 143(24): 244506-244518.\r\n\r\nIzvekov, S. and J. M. J. Swanson (2011). \"Using force-matching to reveal essential differences between density functionals in ab initio molecular dynamics simulations.\"\r\nJournal of Chemical Physics 134(19): 194109-194114.\r\n\r\nRosch, 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.\"\r\nPhysical Review E 87(4): 042606-042614.\r\n\r\nIzvekov, 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).\"\r\nJournal of Chemical Physics 135(4): 044112-044117.\r\n\r\nIzvekov, S. and G. A. Voth (2005). \"Multiscale coarse graining of liquid-state systems.\"\r\nJournal of Chemical Physics 123(13): 134105-134113.\r\n\r\nIzvekov, S. and G. A. Voth (2005). \"A multiscale coarse-graining method for biomolecular systems.\"\r\nJournal of Physical Chemistry B 109(7): 2469-2473.\r\n\r\nIzvekov, 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.\"\r\nJournal of Chemical Physics 120(23): 10896-10913.\r\n" "email" "sergiy.izvyekov.civ@mail.mil" "first-name" "Sergey" "institution" "U. S. Army Research Laboratory" "kim-items-contributor" [] "kim-items-developer" [] "kim-items-implementer" [] "last-name" "Izvekov" "link-rel-canonical-url" "https://openkim.org/profile/sergiy-izvyekov" "location-merged" "Aberdeen Proving Ground, MD, USA" "openkim-user-id" #uuid "bbe1fcca-d6cb-4538-9e2e-5e7aa7e20f4a" "orcid" "" "page-title" "Sergey Izvekov" "profile-picture" "sergey_izvyekov.jpg" "published-name" "Sergey Izvekov" "state" "MD" "title" "Dr." "username" "sergiy-izvyekov" "website" "https://www.arl.army.mil"}