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Explore high-dimensional data extraction and encoding in complex chemical systems, focusing on exascale computing opportunities, multiscale correlations, and challenges in feature selection and interpretability.
Explore computational workflows for predicting complex materials properties, from phase diagrams to nanostructures, using density functional theory and machine learning potentials.
Explore laboratory automation and complex scientific workflows with ESCALATE software, focusing on experiment planning, data capture, and machine learning integration for halide perovskite synthesis.
Explore high-throughput spectroscopy and materials discovery using advanced computational methods, workflows, and data analysis frameworks for accelerated insights in materials science.
Explore advanced Gaussian process techniques for function approximation, uncertainty quantification, and autonomous experimentation, addressing challenges and improving performance in real-world applications.
Explore nonlinear reduced basis methods and optimal transport for efficient electronic structure calculations, focusing on a 1D toy model with potential extensions to larger systems.
Explores computational methods for understanding slow time-scale behavior of rapid microscopic dynamics, with applications in materials modeling and plasticity. Presents theory and examples for coarse-graining complex systems.
Explore symmetry-aware machine learning models for atomic interactions, focusing on E(3)-equivariant neural potentials and Bayesian force fields for improved accuracy in materials modeling.
Explore advanced techniques for modeling metal properties, including energy landscape exploration, coarse-graining with uncertainty quantification, and descriptor-based approaches for capturing diverse material characteristics.
Explore peridynamic modeling for fracture and damage across scales, enabling large-scale computations with fast convolution-based methods. Learn about new approaches to simulating dynamic fracture and corrosion damage.
Comprehensive exploration of density functional theory, covering advanced concepts and applications in materials science, presented by Prof. Vikram Gavini at IPAM's exascale mathematics workshop.
Explore future exascale computing architectures and their applications in materials science, presented by Lawrence Livermore National Laboratory expert Erik Draeger at UCLA's IPAM.
Comprehensive introduction to density functional theory, exploring its principles and applications in materials science and computational physics.
Explore Neur2SP, a novel approach to two-stage stochastic programming using neural networks. Learn how this method efficiently solves complex decision-making problems under uncertainty.
Explore neural networks' potential in algorithmic computation, from toy experiments to groundbreaking applications in mathematics and AI reasoning, with insights on their transformative impact on machine learning and computer science.
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