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Requisition Id 15997 Overview: We are seeking a postdoctoral researcher who will focus on atomistic simulation and data science approaches. This position resides in the Chemical Transformations
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substrate effects using a combination of TB-SMA and Tersoff potentials. Perform atomistic simulations (molecular dynamics and Monte Carlo) to generate diverse and realistic structural configurations
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nanoparticles to uncover atomistic mechanisms for sustainable catalysis. 3. Visualizing Chemical Dynamics in Real Time You will apply advanced atomic-resolution imaging and image analysis to uncover surface
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structure–property relationships in metal halide perovskites at an atomistic level”. This collaborative project will establish structure-property relationships in hybrid metal-halide semiconductors
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nanoparticles to uncover atomistic mechanisms for sustainable catalysis. (3) Visualizing Chemical Dynamics in Real Time You will apply advanced atomic-resolution imaging and image analysis to uncover surface
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for candidates with interests in multiscale simulations of complex physical phenomena, from the atomistic/electronic scale to mesocopics and beyond. Of particular interest is the development and application
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learning in chemistry would be advantageous, as would familiarity with ML approaches for atomistic modelling (e.g., MACE, ACE, NequIP, PhysNet, reactive MD). Prior contributions to scientific code
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. Applicants should have a PhD in Chemistry or a related field, with a strong background in atomistic molecular dynamics simulations of soft mater, especially polymers and/or proteins, and demonstrable
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states, charge density waves, superconductivity, and quantum magnetism - Kagome materials and superconducting hydrides - Machine learning interatomic potentials (MLIPs) and data-driven atomistic
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. Working within an interdisciplinary team, you will develop frameworks that connect atomistic features, mesoscale dynamics, and device-level performance. The effort will integrate heterogeneous data from