30 molecular-dynamics uni jobs at NIST

Metrology for Microbial Community Dynamics

RAP opportunity at National Institute of Standards and Technology     NIST Metrology for Microbial Community Dynamics Location Material Measurement Laboratory, Biosystems and Biomaterials Division

Microwave Microfluidics

of small volumes of liquid samples as a function of temperature, composition, and concentration. These measurements can yield information on the polarization dynamics of inorganic nanoparticles, organic

Computational Investigations of Molecular Interface Formation from the Perspective of Cosolvent Preferential Interactions

to this information offers unique possibilities for the development and validation of the next generation of models of molecular interface formation on multiple scales, ranging from molecular dynamics simulations

Computational Soft Materials

/Alcohol Mixtures: Using Molecular Simulation to Probe Energetics, Structure and Dynamics. Kevin R. Hinkle and Frederick R. Phelan Jr., Journal of Physical Chemistry C, 121 (41), pp. 22926–22938, (2017

Dynamics and Structure of Molecules and Solids

intermolecular forces; crystal structure and dynamics are correlated with thermodynamic properties, phase transitions, and chemical behavior. key words Inelastic scattering; Molecular crystals; Neutron diffraction

Development of New Computational Methodologies for Molecular Simulation of Soft Materials

and other complex fluids using molecular simulations. In order to make these simulations more computationally feasible, development of coarse-grained models and new Monte Carlo or molecular dynamics

Data-Driven Technologies for Fluid Property Simulation

Description Molecular modeling (i.e., Monte Carlo and molecular dynamics methods) are becoming computationally-accessible for large-scale simulations of various thermophysical and mechanical properties

Design, Synthesis, and Characterization of Chromatographic Sorbents

. Molecular simulations (molecular dynamics and Monte Carlo) are used to elucidate the important interactions between solute, sorbent, and solvent and as a design tool towards the development of other novel

Computational and Theoretical Approaches for Understanding Complex Fluids

in bulk and under confinement, phase transitions, metastable liquids, and protein aggregation. key words Computational chemistry; Molecular dynamics; Molecular simulation; Monte Carlo; Phase transition

Developing Fundamental Understanding of Separation Science

dynamics simulations, multiscale modeling, and data analysis techniques. Connecting the microscopic details investigated by quantum chemistry and molecular dynamics studies to larger length scales is