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Theory , Atomic Molecular and Optical Physics , Atomic Physics , Atomic, Molecular, and Optical Physics , atomic-molecular-optical physics , Atomic/Molecular Physics , Biological Physics , Biophysics
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energy density matter , High Energy Experimental , High Energy Physics , high energy physics or mathematical physics , High Energy Theory , High Energy Theory Group , High Performance Computing
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mechanisms in porous liquids. Density Functional Theory (DFT) calculations will allow analysis of specific interactions between gas molecules and POSS cages. **Scientific Environment** The PhD will be carried
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there are legal requirements, such as a license, certification, and/or registration. Additional Requirements Expertise in ab initio molecular dynamics, density functional theory and high-performance computing
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Theory , Atomic Molecular and Optical Physics , Atomic Physics , Atomic, Molecular, and Optical Physics , atomic-molecular-optical physics , Atomic/Molecular Physics , Biological Physics , Biophysics
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research on 2D materials, including ferroelectric, multiferroic, topological, and moiré systems. Develop, implement, and apply advanced simulation techniques (e.g., density functional theory, tight-binding
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energy density matter , High Energy Experimental , High Energy Physics , high energy physics or mathematical physics , High Energy Theory , High Energy Theory Group , High Performance Computing
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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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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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focus of their work is the role of protein dynamics and quantum mechanics during enzyme catalysis. Much of the work involves computational chemistry, often combing molecular dynamics (MD) simulations with