Publications

3555 results for Materials Discovery

Growing strings in a chemical reaction space for searching retrosynthesis pathways
- - Federico Zipoli
  - Carlo Baldassari
  - et al.
- 2023
- ChemRxiv
Paper
Dynamics 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
Paper
Easy-plane dominant stochastic magnetic tunnel junction with synthetic antiferromagnetic layers
- - Jonathan Z. Sun
  - Christopher Safranski
  - et al.
- 2023
- Physical Review B
Paper
Designing an AI assistant for chemical discovery
- - Siya Kunde
  - Stephanie Houde
  - et al.
- 2023
- ACS Fall 2023
Conference paper
Exploring 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 paper
Multi-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 paper
Automatic structure elucidation from IR spectra
- - Marvin Alberts
  - Teodoro Laino
  - et al.
- 2023
- ACS Fall 2023
Invited talk
Harnessing the Power of Language Models to Accelerate Material Design
- - Matteo Manica
- 2023
- ACS Fall 2023
Invited talk
Interpretable latent representations for molecular property prediction models
- - Sanjoy Dey
  - Partha Suryanarayanan
  - et al.
- 2023
- ACS Fall 2023
Talk
Understanding the role of mass transport and lithium interphase design in enabling conversion batteries
- - Murtaza Zohair
  - Maxwell Giammona
  - et al.
- 2023
- ACS Fall 2023
Talk