Omar Adesida: Nested Sampling as a Tool for Generating Phase Diagrams for Organic “Toy” Molecules
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Iain Best: Uncertainty Quantification for Interatomic Potentials
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Joe Gilkes: Building a Database for DFTB Parametrisation
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Tadashi Matsumoto: Adaptive probabilistic meshless methods for evolutionary systems
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Lakshmi Shenoy: Simulating fracture in irradiated materials
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James Targett: Theoretical Studies of Thermal Conduction in Molecular Junctions
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Connor Allen: Gaussian Approximation Potentials for Ti based alloys
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Adam Fisher: Using Kinetic Monte Carlo to Investigate NiAl Superalloys
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Peter Lewin-Jones: Nanoscale Contact Dynamics Beneath Impacting Droplets
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Charlotte Rogerson: Validating Hydrodynamic Codes with ICF Shock Timing Data
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Alisdair Soppitt: Statistics of porous media attributes and mixing processes state variables across scales
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Steven Tseng: It’s all in the Structure: Transforming drug design by bringing together molecular simulations and machine learning
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