Publications

3509 results for Materials Discovery

Growing strings in a chemical reaction space for searching retrosynthesis pathways
- - Carlo Baldassari
  - Jannis Born
  - et al.
- 2023
- ACS Spring 2023
Enzyme optimization via a generative language modeling-based evolutionary algorithm
- - Yves Gaetan Nana Teukam
  - Francesca Grisoni
  - et al.
- 2023
- ACS Spring 2023
Unifying Molecular and Textual Representations via Multi-task Language Modelling
- - Dimitrios Christofidellis
  - Giorgio Giannone
  - 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
CRAFTED - An exploratory database of simulated adsorption isotherms of metal-organic frameworks
- - Felipe Lopes de Oliveira
  - Conor Cleeton
  - et al.
- 2023
- ACS Spring 2023
Computational 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
Development of Ensemble Models for the Growth of Colloidal Spin-on-Glass Materials
- - Tim Erdmann
- 2023
- APS March Meeting 2023
Molecular rotations trigger a glass-to-plastic fcc heterogeneous crystallization in high-pressure water
- - Malgorzata Zimon
  - Fausto Martelli
- 2023
- The Journal of Chemical Physics
Current induced magnetization switching of thick antiferromagnet and ferromagnet by Seeded Spin-Orbit Torque
- - Binoy Krishna K. Hazra
  - Banabir Pal
  - et al.
- 2023
- APS March Meeting 2023
Epitaxial, Silicon-Compatible CoSi₂ Thin Film SQUID with Constriction-Type Junction
- - Ruoshui Li
  - Yichen Jia
  - et al.
- 2023
- APS March Meeting 2023