MH
Publications
- CURATOR: Building Robust Machine Learning Potentials for Atomistic Simulations Autonomously with Batch Active Learning
- PerQueue: Managing Complex and Dynamic Workflows
- PerQueue: managing complex and dynamic workflows
- Oxygen-Powered Sustainable FePO4 Preparation Routines for Sodium Metal Batteries with Li Acetate Recovery
- Assessing Diffusion Relaxation of Interlayer Water in Clay Minerals Using a Minimalist Three-Parameter Model
- Influence of CO2 on Nanoconfined Water in a Clay Mineral
- Reflections from the 2024 Large Language Model (LLM) Hackathon for Applications in Materials Science and Chemistry
- Revisiting the modeling of quasielastic neutron scattering from bulk water
- Oxygen-powered sustainable FePO4 preparation for sodium metal batteries with Li acetate recovery
- Dis-GEN: Disordered crystal structure generation
- Energy Underprediction from Symmetry in Machine-Learning Interatomic Potentials
- Dataset exploring the atomic scale structure and ionic dynamics of polyanion sodium cathode materials
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Co-workers & collaborators
- JG
Juan Maria García Lastra
- AB
Arghya Bhowmik
- JC
Jinhyun Chang
- HD
Haiwen Dai
- JB
Jonas Busk
- AC
Andy Paul Chen