Volker L. Deringer
- A foundation model for atomistic materials chemistry
2023/12/29 by Ilyes Batatia, Batatia, Ilyes, Philipp Benner +182 · 5 voices · 137 citations
Materials Science · Decision Sciences · #physics.chem-ph #cond-mat.mtrl-sci
- LOBSTER: A tool to extract chemical bonding from plane‐wave based DFT
2016/02/24 by Stefan Maintz, Volker L. Deringer, Andrei L. Tchougréeff +1 · 27 citations
Physics and Astronomy · Chemistry · Materials Science · #Advanced Chemical Physics Studies #Crystallography and molecular interactions #Machine Learning in Materials Science
- Evolutionary History, Predation, and Coastal Upwelling Interactively Influence Native Oyster Habitat in Tomales Bay, California
2008/01/01 by Ryky Nelson, Christina Ertural, Janine George +4 · 18 citations
Chemistry · Earth and Planetary Sciences · Environmental Science · Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #Crystallography and molecular interactions #Machine Learning in Materials Science #Marine Bivalve and Aquaculture Studies #Marine Ecology and Invasive Species #Marine and coastal plant biology
- Gaussian Process Regression for Materials and Molecules
2021/08/16 by Volker L. Deringer, Albert P. Bartók, Noam Bernstein +3 · 30 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #Machine Learning in Materials Science #Protein Structure and Dynamics
- An automated framework for exploring and learning potential-energy surfaces
2024/12/21 by Yuanbin Liu, Liu, Yuanbin, Joe D. Morrow +16 · 1 voice · 8 citations
Materials Science · #Machine Learning in Materials Science
- Accelerated First-Principles Exploration of Structure and Reactivity in Graphene Oxide
2024/05/23 by Zakariya El‐Machachi, El-Machachi, Zakariya, Damyan Frantzov +9 · 4 citations
Materials Science · #Machine Learning in Materials Science #Graphene research and applications
- Distillation of atomistic foundation models across architectures and chemical domains
2025/06/12 by John L. A. Gardner, Gardner, John L. A., Daniel F. Thomas du Toit +19 · 3 voices · 3 citations
#physics.comp-ph
- Mechanical properties of graphene oxide from machine-learning-driven simulations
2025/01/01 by Zakariya El‐Machachi, Bowen Cheng, Volker L. Deringer · 1 voice · 1 citation
Materials Science · Engineering · #Graphene research and applications #Machine Learning in Materials Science #Graphene and Nanomaterials Applications
- Hyperparameter Optimization for Atomic Cluster Expansion Potentials
2024/08/01 by Daniel F. Thomas du Toit, Yuxing Zhou, Toit, Daniel F. Thomas du +3 · 2 citations
Materials Science · #Catalytic Processes in Materials Science #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)