MDLab: AI frameworks for carbon capture and battery materials
- Bruce Elmegreen
- Hendrik F. Hamann
- et al.
- 2023
- Frontiers in Environmental Science
Paper
Publications
3556 results for Materials Discovery
Growing strings in a chemical reaction space for searching retrosynthesis pathways
- Federico Zipoli
- Carlo Baldassari
- et al.
- 2023
- ChemRxiv
PaperDynamics of fixed-volume pinned films - Dealing with a non-self-adjoint thin-film problem
- Israel Gabay
- Vesna Bacheva
- et al.
- 2023
- Journal of Fluid Mechanics
PaperEasy-plane dominant stochastic magnetic tunnel junction with synthetic antiferromagnetic layers
- Jonathan Z. Sun
- Christopher Safranski
- et al.
- 2023
- Physical Review B
PaperDesigning an AI assistant for chemical discovery
- Siya Kunde
- Stephanie Houde
- et al.
- 2023
- ACS Fall 2023
Conference paperExploring the impact of molecular force fields on the computational screening of COFs for carbon capture
- Felipe Lopes de Oliveira
- Conor Cleeton
- et al.
- 2023
- ACS Fall 2023
Short paperMulti-modal and multi-scale screening of solid sorbent materials for gas capture: The importance of adsorption kinetics
- Rodrigo Neumann Barros Ferreira
- Felipe Lopes de Oliveira
- et al.
- 2023
- ACS Fall 2023
Short paperAutomatic structure elucidation from IR spectra
- Marvin Alberts
- Teodoro Laino
- et al.
- 2023
- ACS Fall 2023
Invited talkHarnessing the Power of Language Models to Accelerate Material Design
- 2023
- ACS Fall 2023
Invited talkUnderstanding the role of mass transport and lithium interphase design in enabling conversion batteries
- Murtaza Zohair
- Maxwell Giammona
- et al.
- 2023
- ACS Fall 2023
Talk