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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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proteins in lipid droplets; (2) development and maintenance of the POP_MD code for non-equilibrium molecular dynamics simulations of biological systems. The successful candidate will be responsible
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interdisciplinary teams to develop integrated molecular simulation and machine learning workflows aimed at accelerating the discovery of novel materials for applications in chemical separations, water treatment, and
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12 Sep 2025 Job Information Organisation/Company Institute of Animal Physiology and Genetics of the Czech Academy of Sciences Department Laboratory of Molecular Morphogenesis Research Field
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species formed on the electrode surface by electrolyte degradation, using molecular simulations. To this end, the postdoctoral fellow will develop methods to sample and characterize these processes using
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/andreas-kohler/ Project description While protein quality control (PQC) systems for mitochondrial proteins encoded by nuclear DNA are well studied, the molecular basis of PQC for mitochondrially encoded
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related to staff position within a Research Infrastructure? No Offer Description The Department of Molecular Chemistry in Grenoble is a joint research unit (UMR 5250) bringing together the CNRS and the
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and molecular simulation experience. A solid background in simulation algorithms and experience in advanced scientific computing are highly desired, as is a solid background in chemistry or biophysics
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CENTD, a multidisciplinary center studying molecular targets of inflammatory diseases, is offering a postdoctoral position for 12 months. The project aims to identify and validate new pharmacological
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the application of molecular dynamics simulations to molecular systems, ideally in both methods and applications. Experience in Atmospheric Water Harvesting, metal organic framework modelling and machine learning