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molecular dynamics, enhanced sampling, and kinetic modeling—the team investigates how neurotransmitters like norepinephrine and hormones such as estrogen interact with β-adrenergic and estrogen-related GPCRs
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simulations, statistical mechanics, computer programming (e.g., C++, Python), polymer theory, molecular modeling (e.g., of proteins, nucleic acids, ligands), coarse-grain and polymer model development
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contributions in: Building novel generative models for predicting genome-scale evolutionary patterns using GenSLMs Developing scalable models that can, when integrated with high throughput molecular dynamics
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processing 2. nonequilibrium physics of molecular machines 3. understanding the role of phase-separated condensates with quantitative models 4. Modeling multicellular systems in mechanobiology 5. AI assisted
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, Quantum espresso); molecular dynamics simulations (e.g. LAMMPS, DL-POLY); development of inter-atomic potentials (e.g. pro-fit, MLIP-3); Demonstrated experience in meso-scale models such as cluster dynamics
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CFD methods DFT and Molecular modelling linked to CCUS Strong analytical and problem-solving skills, with an ability to interpret and analyze simulation and/or experimental results. Ability to work in
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with the land surface model to conduct regional simulations; Flux and concentration footprint modelling; Post-processing of eddy covariance data, gap filling and data analysis; Plan, coordinate and
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) Agricultural Research Service (ARS). Overview: We are seeking highly motivated postdoctoral fellows to join our dynamic team with broad focus areas in prevention of diet-related chronic diseases, plant genetics
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. Strong knowledge of heterogeneous catalysis and computational chemistry. Experience with computational modeling (i,e, DFT, and/or molecular dynamics). Familiarity with software such as Material Studio
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comprehensive simulation open-source codes. Experience in data analysis and simulations of complex and coupled nuclear engineering problems, using techniques such as (but not limited to) molecular dynamics