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"Immunometabolic Signaling" research group. Research on the metabolic mechanisms of immune regulation is one of the most dynamically developing fields of science worldwide. The group's task will be to develop
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the performance and scalability of large-scale molecular dynamics simulations (e.g. LAMMPS) using machine-learned potentials (e.g. MACE) through algorithmic improvements, code parallelization, performance analysis
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interatomic potential to incorporate materials response . Resulting models are implemented in LAMMPS and are used to perform ML-accelerated large-scale dynamics simulations to investigate the evolution
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operations and chemical processes. Ability to conduct experiments. Experience in using both steady-state and dynamic modeling, simulation and optimization tools, e.g. Aspen, Pro/II, GAMS, gProms... Ambitious
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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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University of North Carolina at Chapel Hill | Chapel Hill, North Carolina | United States | 3 days 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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, pharmacophore modelling, and molecular dynamics simulations to design novel GPR84 ligands with predictable signalling bias profiles. About the person: The successful candidate must have, and your application
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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
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Max Planck Institute for Extraterrestrial Physics, Garching | Garching an der Alz, Bayern | Germany | 3 months ago
dynamics simulations and enhanced sampling methods for the study of rare events, such as surface reactions and surface dynamics for astrophysically relevant conditions; simulating pure and mixed ices