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Field
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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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Institute of Animal Physiology and Genetics of the Czech Academy of Sciences | Czech | about 22 hours ago
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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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
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Sciences Division (CSD), Physical Sciences Directorate, at Oak Ridge National Laboratory (ORNL). The postdoc will perform molecular dynamics simulations, statistical mechanics (e.g., rate theory) and
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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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Job Description Job Responsibilities -Conduct molecular dynamic (MD) simulations of the interactions of biological toxins including alpha-toxin, pyocyanin, and pyoverdine with clay natural and modified
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properties of phase transitions involving magnetism, elasticity, dielectricity, etc. by applying and developing computational methods such as classical and quantum Monte Carlo simulations, molecular dynamics