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
Talk
Publications
308 results for Climate and Sustainability
MDLab: AI frameworks for Carbon Capture and Battery Materials
- Bruce Elmegreen
- Hendrik Hamann
- et al.
- 2023
- ICR 2023
PosterUniversal catalysts for CO2 capture, storage and upcycling to high value materials
- James Hedrick
- Dino Wu
- et al.
- 2023
- ACS Spring 2023
Invited talkCRAFTED - An exploratory database of simulated adsorption isotherms of metal-organic frameworks
- Felipe Lopes de Oliveira
- Conor Cleeton
- et al.
- 2023
- ACS Spring 2023
TalkpyMSER - An open-source library for automatic equilibration detection in Monte Carlo simulations
- Felipe Lopes de Oliveira
- Rodrigo Neumann Barros Ferreira
- et al.
- 2023
- ACS Spring 2023
TalkComputational screening of solid sorbent materials for CO2 capture from molecular to process level
- Rodrigo Neumann Barros Ferreira
- Binquan Luan
- et al.
- 2023
- ACS Spring 2023
PosterExtensive Attention Mechanisms in Graph Neural Networks for Materials Discovery
- Guojing Cong
- Talia Ben Naim
- et al.
- 2022
- ICDM 2022
Conference paperA coupled Variational Encoder-Decoder - DeepONet surrogate model for the Rayleigh-Bénard convection problem
- Joao Lucas de Sousa Almeida
- Pedro Rocha
- et al.
- 2023
- AAAI 2023
Workshop paperOn Metric Analysis for Deep Weather Generators
- Maysa Malfiza Garcia de Macedo
- Daniela Szwarcman
- et al.
- 2023
- AAAI 2023
Workshop paperA SWAT-based Reinforcement Learning Framework for Crop Management
- Malvern Madondo
- Muneeza Azmat
- et al.
- 2023
- AAAI 2023
Workshop paper