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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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, 4) Model interpretability. Experience with other deep learning methods, such as Convolutional or Bayesian Neural Networks, Simulation-Based Inference (SBI), Normalizing Flows, or Diffusion Models, is
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within SCI and across other departments within Pitt, and initiatives like the $11.6M Western Pennsylvania Quantum Information Core (https://www.pitt.edu/pittwire/features-articles/pitt-investment-pa
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fundamental physical model to understand the process of fire spread for wildfires, as part of the European Research Council grant FIREMOD: (https://cordis.europa.eu/project/id/101161183 ). This is a full-time
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products for engineers, municipal partners, and the public. DUTIES AND RESPONSIBILITIES Plan, develop, calibrate/validate, and execute flood risk simulations using community models (e.g., HEC-RAS, SWMM
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analysis, and modelling. Duties will include planning research activities, preparing reports and scientific publications, developing research concepts, securing research funding, preparing intellectual
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and BSL-4 laboratories utilizing a wide range of techniques such as in vitro and in vivo infection models, flow cytometry, ELISA, western blots, and multiplex immunoassays. Our projects rely
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, surrogate modeling of scientific processes, workflow automation and adaptive simulation pipelines, and performance analysis and optimization. The candidate will also contribute to and help originate research
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national survey data Participates in development and implementation of population-level disease simulation models to evaluate the impact cost-effectiveness of various health policy interventions on reducing
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Helmholtz-Zentrum Dresden-Rossendorf - HZDR - Helmholtz Association | Gorlitz, Sachsen | Germany | 25 days ago
tasks # Performing quantum mechanical and ML-based simulations to determine CO2 adsorption energies # Application of self-consistent continuum solvation models to account for solvation effects