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molecular dynamics simulations (including application of molecular mechanics and/or semiempirical methods). Practical skills in use of molecular modeling software such as Gaussian, GROMACS, VMD, Discovery
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simulations (i.e., molecular dynamics and/or Monte Carlo methods) or liquid state theory (e.g., classical density functional theory) is highly desirable. Potential topics of research include: Understanding
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PhD in computational chemistry or related subject. Experience in molecular simulations (i.e., molecular dynamics and/or Monte Carlo methods) or liquid state theory (e.g., classical density functional
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-projects/kirmizialtin-lab.html . Candidates must have a Ph.D. in Chemistry, Physics, or related field, with extensive experience in the application of molecular dynamics simulations to molecular systems
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field, with a strong interest in biological systems are particularly encouraged to apply. We seek candidates with expertise in some of the following areas: molecular dynamics, Monte Carlo simulations
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and/or experimental structural biology involving protein design, molecular dynamics simulation, single particle cryo-electron microscopy, x-ray crystallography, or single-molecule FRET. The Postdoctoral
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. The successful candidate will work in the field of atomistic-scale simulations under the direction of Dr. Adri van Duin. Job Duties: Develop ReaxFF parameter sets. Perform and analyze ReaxFF molecular dynamics and
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independent motions. To shed light on the T4SS functioning mechanism, we will investigate the dynamics of T4SS, intrinsically disordered regions will be characterized using NMR spectroscopy in combination with
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the University of Luxemburg, is to develop reliable, efficient, and accurate machine learning force fields (MLFF) for molecular dynamics simulation of systems sizes ranging from ~1000 to 100.000 atoms while
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also collaborate extensively with theorists, combining our experimental results with quantum-chemical and/or molecular dynamics simulations, toward a comprehensive understanding of the fundamental bases