Publications

26877 results for Science

Toward General Design Principles for Generative AI Applications
- - Justin D. Weisz
  - Michael Muller
  - et al.
- 2023
- HAI-GEN+user2agent 2023
Conference paper
Increasing the adoption of machine learning technologies by chemists with graphical and programmatic interfaces
- - Alain Vaucher
  - Matteo Manica
  - et al.
- 2023
- ACS Spring 2023
Invited talk
Universal catalysts for CO2 capture, storage and upcycling to high value materials
- - James Hedrick
  - Dino Wu
  - et al.
- 2023
- ACS Spring 2023
Invited talk
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
Talk
Standardization of chemical compounds using language modeling
- - Miruna Cretu
  - Alessandra Toniato
  - et al.
- 2023
- ACS Spring 2023
Talk
NeuTE - Neural Template Extraction
- - Amol Thakkar
  - Teodoro Laino
- 2023
- ACS Spring 2023
Talk
CRAFTED - An exploratory database of simulated adsorption isotherms of metal-organic frameworks
- - Felipe Lopes de Oliveira
  - Conor Cleeton
  - et al.
- 2023
- ACS Spring 2023
Talk
Unifying Molecular and Textual Representations via Multi-task Language Modelling
- - Dimitrios Christofidellis
  - Giorgio Giannone
  - et al.
- 2023
- ACS Spring 2023
Talk
Data-Driven Reaction Template Fingerprints
- - Anubhab Chakraborty
  - Amol Thakkar
  - et al.
- 2023
- ACS Spring 2023
Talk
AI as a peer: Polymer discovery with neuro-symbolic intelligent agents
- - Sarathkrishna Swaminathan
  - Dmitry Zubarev
  - et al.
- 2023
- ACS Spring 2023
Talk