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some of the following areas: molecular dynamics, Monte Carlo simulations, statistical mechanics, computer programming (e.g., C++, Python), polymer theory, molecular modeling (e.g., of proteins, nucleic
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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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) 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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nanocrystals and carry out Brownian and molecular dynamics simulations of their self-assembly behavior in solution, on surfaces, or trapped at fluidfluid interfaces. 2) Carry out free energy calculations using
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molecular dynamics and path integral simulation methods, machine learning techniques, and electronic structure techniques. Additional background in statistical mechanics and deep eutectic solvents is highly
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researchers will work in a dynamic team of staff scientists at Argonne National Laboratory. Within the team we have extensive experience with large scale molecular dynamics simulations, first principles
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, molecular dynamics simulations using ab initio and machine-learning potentials, and the development or application of machine-learning tools for feature extraction, property prediction, and inverse molecular
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to apply. We seek candidates with expertise in some or all the following areas: density functional theory, deep learning, high-throughput simulations, molecular dynamics, and materials chemistry. Strong
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molecular dynamics simulations. This position emphasizes research in the modeling of complex chemical systems, where the candidate will integrate advanced simulation techniques with modern machine learning
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of molecular reactions occurring at the surface of various materials. In addition, computational fluid dynamics (CFD) simulations combined with microkinetic modeling will be carried out to study the heat