Publications

14329 results for Physical Sciences

Unifying Molecular and Textual Representations via Multi-task Language Modelling
- - Dimitrios Christofidellis
  - Giorgio Giannone
  - et al.
- 2023
- MRS Spring Meeting 2023
Thermal and Electrical Conductivity of Copper-Graphene Heterosystem: An Effect of Strain and Thickness
- - Aiswarya Samal
  - Anoop Kumar Kushwaha
  - et al.
- 2023
- Advanced Engineering Materials
Enhancing diversity in language based models for single-step retrosynthesis
- - Alessandra Toniato
  - Alain C. Vaucher
  - et al.
- 2023
- Digital Discovery
Modular nanomagnet design for spin qubits confined in a linear chain
- - Michele Aldeghi
  - Rolf Allenspach
  - et al.
- 2023
- Applied Physics Letters
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
Linking Interfacial Bonding and Thermal Conductivity in Molecularly-Confined Polymer-Glass Nanocomposites with Ultra-High Interfacial Density
- - Yang Wang
  - David W. Collinson
  - et al.
- 2023
- Small
CRAFTED - An exploratory database of simulated adsorption isotherms of metal-organic frameworks
- - Felipe Lopes de Oliveira
  - Conor Cleeton
  - et al.
- 2023
- ACS Spring 2023
pyMSER - 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
AI as a peer: Polymer discovery with neuro-symbolic intelligent agents
- - Sarathkrishna Swaminathan
  - Dmitry Zubarev
  - et al.
- 2023
- ACS Spring 2023