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simulation techniques, including density functional theory (DFT), molecular dynamics, Monte Carlo methods, and free‑energy perturbation calculations. Develop and implement novel computational methodologies and
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modeling and simulations, including density functional theory (DFT), molecular dynamics (MD), or ab initio molecular dynamics (AIMD), to investigate polyamide interfacial polymerization, interfacial
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"Immunometabolic Signaling" research group. Research on the metabolic mechanisms of immune regulation is one of the most dynamically developing fields of science worldwide. The group's task will be to develop
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We are looking for a highly motivated, dynamic and ambitious postdoc for a 2-year postdoc position to commence June 1st or shortly thereafter. The position is funded by the Independent Research fund
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physics, physical chemistry, computational chemistry, statistical mechanics, or related fields Experience with molecular dynamics simulations (with GROMACS, OPENMM, LAMMPS, NAMD, AMBER, etc
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molecular tools, capsid architectural modeling, classical nucleation theory, molecular dynamics simulations, and protein expression. The ideal candidate will have a background in mathematical biology
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University of New Hampshire – Main Campus | New Boston, New Hampshire | United States | about 8 hours ago
USNH Employees should apply within Workday through the Jobs Hub app The research position(s) are within the broad area of biophysics, structural modeling, and molecular dynamics (MD) simulations
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the performance and scalability of large-scale molecular dynamics simulations (e.g. LAMMPS) using machine-learned potentials (e.g. MACE) through algorithmic improvements, code parallelization, performance analysis
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interatomic potential to incorporate materials response . Resulting models are implemented in LAMMPS and are used to perform ML-accelerated large-scale dynamics simulations to investigate the evolution
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operations and chemical processes. Ability to conduct experiments. Experience in using both steady-state and dynamic modeling, simulation and optimization tools, e.g. Aspen, Pro/II, GAMS, gProms... Ambitious