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descriptors to support machine learning model development to accelerate materials discovery: Perform high-throughput DFT and molecular dynamics simulations to investigate the thermodynamic, structural, and
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nanoparticles, cell survival and radioresistance. The MS-RADAM research programme combines state-of-the-artc omputational multiscale modelling (using DFT/TDDFT methods, collision theory, molecular dynamics
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complement and strengthen ongoing research within the department, and how they stand to contribute to its future development. Additional qualifications Previous experiences with molecular dynamics simulations
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– Molecular-Scale Modelling This PhD position focuses on molecular-scale computational modelling of polymer-hybrid anion-exchange membranes. The project involves DFT, molecular dynamics, and Monte Carlo
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datasets across broad chemical space Evaluate models through molecular dynamics, simulations, and benchmarks Active Learning in Configurational and Chemical Spaces Integrate uncertainty-aware MLFFs
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Instituto de Investigação e Inovação em Saúde da Universidade do Porto (i3S) | Portugal | 12 days ago
and relevant molecular biology techniques. Additional Information Website for additional job details https://dozer.i3s.up.pt/fileupload/downloadfile/viewpdfnewtab/79a7801927bf965d8… Work Location(s
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will develop and benchmark approaches that infer copy-number changes and CIN dynamics directly from single-cell RNA-seq, then connect these CIN signals to (i) the molecular programs that allow tumor
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dynamics directly from single-cell RNA-seq, then connect these CIN signals to (i) the molecular programs that allow tumor cells to tolerate genome chaos and (ii) actionable vulnerabilities that could improve
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time-scales: ab initio methods for the description of reaction processes, for the determination of electrochemical stabilities and for the optimisation of force fields; molecular dynamics simulations
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neuroscience is essential Experience with modelling, analysis of complex dynamical systems, simulation, analysis of large-scale datasets with machine learning methods, and software development are beneficial