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Explore adaptive computing and multi-fidelity learning for efficient optimization and uncertainty quantification in complex scientific workflows, with applications and scaling challenges discussed.
Explore real-time data analysis for X-ray Free Electron Laser experiments using high-performance computing, focusing on challenges, workflow design, and performance insights for future scientific applications.
Discover cuNumeric: a NumPy replacement enabling Python applications to scale across multiple nodes and leverage GPU acceleration for enhanced performance and dataset handling.
Explore Snakemake for sustainable data analysis, enabling transparency, reproducibility, and adaptability in scientific workflows and computational research.
Explore X-ray micro-tomography at ALS and NERSC's "superfacility," enabling 3D micron-resolution imaging for diverse scientific applications, from earth science to biology, with advanced data processing workflows.
Explore machine learning techniques for atomic-scale modeling, addressing challenges in chemical diversity and integrating functional properties beyond interatomic potentials for advanced materials simulation.
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.
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