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Opportunity at Davies Teaching Fellowships (ARL/USMA)

Multidisciplinary Multiscale Materials Modeling


Weapons and Materials Research Directorate-FFP, Chemistry - FFP

RO# Location
AA.30.06.B7532 Aberdeen Proving Ground, MD 210055066


Name E-mail Phone
Izvekov, Sergey 410.306.0720


Opportunities exist for development of methods and models for atomistic and particle-based coarse-grained simulations, and their application in atomistic-to-mesoscale simulations of materials of interest to the DOD. Atomistic and coarse-grained simulations by molecular dynamics, Monte Carlo, or Dissipative Particle Dynamics (DPD) methods are invaluable in providing detailed molecular level information on system dynamics at the mesoscale, which might be difficult to observe experimentally. We utilize molecular simulation and DPD methods to calculate properties and behavior of condensed-phase materials at different temperatures and pressures, and apply these methods to model dynamic response of DOD materials under a variety of conditions. For development of particle-based coarse-grained models, we are interested in the application of structure-inversion and force-matching based approaches. We are also interested in the development and application of reactive coarse-grained models. Materials of interest include energetic materials, nanoparticles, reactive materials, metals, polymers, ceramics, and composites.


Molecular modeling; Computational material science; Coarse graining; Multiscale modeling; Ceramics and composites; Atomic simulation; Molecular dynamics; Mesoscale modeling; Energetic materials;


Citizenship:  Open to U.S. citizens
Level:  Open to Postdoctoral applicants
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