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Responsibilities Theory Quantum transport modeling using NEGF; first-principles materials and interface calculations using DFT (VASP, Quantum ESPRESSO, or equivalent). Atomistic spin dynamics
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of Prof. Georg Madsen, with regular shorter research stays at Aarhus University. The project combines density functional theory (DFT), machine-learned force fields and atomistic simulations to uncover how
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or atomistic data, computational chemistry, computational physics, or a closely related area, with the ability to work across disciplinary boundaries. Strong Python programming skills and experience developing
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the preponderance of surface and finite size effects. This project aims to dynamically track temperature-induced phase transitions at the nanoscale through atomistic simulations. Focusing on metallic alloys and
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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | 25 days ago
the molecular mechanisms responsible for the nuanced signaling paradigms of GPCRs and how they lead to vastly different biological outcomes. Gaining atomistic insights into receptor-ligand interactions will allow
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, including their microstructure and their in-plane and out-of-plane texture. He/she will also be responsible for coordinating exchanges with the University of Helsinki. The candidate will implement atomistic
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computational approaches — from coarse-grained elastic network models (ANM/GNM) to atomistic and enhanced-sampling molecular dynamics and machine learning/AI methods — to understand how biomolecules achieve
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-supervised by Prof. Jenny Nelson (Imperial College London), and Dr. Riccardo Rurali (ICMAB-CSIC). Main tasks: • Develop atomistic and coarse-grained models of the structure and dynamics of molecular
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searching for a computational postdoctoral research associate. The project is associated with atomistic plasma-surface interaction simulations, employing machine learned interatomic potentials (MLIPs
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located in Pittsburgh, Pennsylvania and focuses on advancing oil and gas technologies that strengthen U.S. energy security and resiliency. This project aims to provide atomistic understanding of mechanical