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of configurations generated in silico as well as their thermodynamic, dynamic (phonon), and mechanical properties, and performing DFT/MLIP NpT and NVT molecular dynamics simulations. - Analyzing and exploiting
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” led by Prof. Rafał Szabla. This project focuses on understanding the mechanistic aspects of nonenzymatic RNA self-replication using methods of molecular dynamics and quantum chemistry. In particular
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Engineering, Computer Science, or a related field. Accompanying Knowledge, Skills, Abilities and Competencies Excellent abilities in molecular modeling and simulations (molecular dynamics or Monte Carlo
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property prediction, modern artificial intelligence methods, molecular dynamics, and interdisciplinary research, this is your chance to be part of an exciting journey at the forefront of science and
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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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, the primary unit of chromatin, using classical all-atom molecular dynamics simulations. The nucleosome is composed of a double-stranded DNA fragment wrapped around a protein core consisting of eight histones
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theoretical and computational soft-matter physics and biophysics. The successful candidate will work primarily with Dr. Matej Kanduč on research topics related to molecular dynamics (MD) simulations
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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | about 2 hours ago
at Chapel Hill invites applications for a Postdoctoral position in AI driven drug discovery and accelerated molecular simulations. This role will support innovative research at the intersection of Artificial
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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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correction, or many-body quantum systems. o Proficiency in numerical simulations (e.g., tensor networks, quantum circuit modeling). · For Experimentalists: o PhD in atomic/molecular/optical (AMO) physics