24 results on '"Schütt, Kristof"'
Search Results
2. Learning Representations of Molecules and Materials with Atomistic Neural Networks
3. Introduction
4. Quantum-Chemical Insights from Interpretable Atomistic Neural Networks
5. The (Un)reliability of Saliency Methods
6. Recommender Systems for Materials Discovery
7. Generative Models for Automatic Chemical Design
8. Construction of Machine Learned Force Fields with Quantum Chemical Accuracy: Applications and Chemical Insights
9. Database-Driven High-Throughput Calculations and Machine Learning Models for Materials Design
10. Polymer Genome: A Polymer Informatics Platform to Accelerate Polymer Discovery
11. Bayesian Optimization in Materials Science
12. Physical Extrapolation of Quantum Observables by Generalization with Gaussian Processes
13. Machine Learning for Molecular Dynamics on Long Timescales
14. Active Learning and Uncertainty Estimation
15. High-Dimensional Neural Network Potentials for Atomistic Simulations
16. Molecular Dynamics with Neural Network Potentials
17. Quantum Machine Learning with Response Operators in Chemical Compound Space
18. Message Passing Neural Networks
19. Accurate Molecular Dynamics Enabled by Efficient Physically Constrained Machine Learning Approaches
20. Machine-Learning of Atomic-Scale Properties Based on Physical Principles
21. Building Nonparametric n-Body Force Fields Using Gaussian Process Regression
22. Introduction to Neural Networks
23. Introduction to Material Modeling
24. Kernel Methods for Quantum Chemistry
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.