Machine-Learning Potentials for Molecular Dynamics Simulations of CO2 Chemisorption and Diffusion in Mg-MOF-74
- Binquan Luan
- Bowen Zheng
- et al.
- 2023
- MRS Spring Meeting 2023
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- Materials Discovery
3479 results for Materials Discovery
Ensemble Models for the Growth of Colloidal Sol-Gel Materials
- Tim Erdmann
- Jason Chen
- et al.
- 2023
- MRS Spring Meeting 2023
Variable-Temperature Hall Study in High Performance Perovskite and Kesterite Films Using High Sensitivity Parallel-Dipole-Line Hall System
- Oki Gunawan
- Chaeyoun Kim
- et al.
- 2023
- MRS Spring Meeting 2023
Regression Transformer enables concurrent sequence regression and generation for molecular language modelling
- Jannis Born
- Matteo Manica
- 2023
- Nature Machine Intelligence
Chemical representation learning for toxicity prediction
- Jannis Born
- Greta Markert
- et al.
- 2023
- Digital Discovery
Surrogate models for the synthesis of colloidal sol-gel materials
- Tim Erdmann
- Jason Chen
- et al.
- 2023
- ACS Spring 2023
MDLab: AI frameworks for Carbon Capture and Battery Materials
- Bruce Elmegreen
- Hendrik Hamann
- et al.
- 2023
- ICR 2023
Increasing the adoption of machine learning technologies by chemists with graphical and programmatic interfaces
- Alain Vaucher
- Matteo Manica
- et al.
- 2023
- ACS Spring 2023
AI as a peer: Polymer discovery with neuro-symbolic intelligent agents
- Sarathkrishna Swaminathan
- Dmitry Zubarev
- et al.
- 2023
- ACS Spring 2023
Data-Driven Reaction Template Fingerprints
- Anubhab Chakraborty
- Amol Thakkar
- et al.
- 2023
- ACS Spring 2023