Publications

14 results at ACS Spring 2023

Surrogate models for the synthesis of colloidal sol-gel materials
- - Tim Erdmann
  - Jason Chen
  - et al.
- 2023
- ACS Spring 2023
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
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
Data-Driven Reaction Template Fingerprints
- - Anubhab Chakraborty
  - Amol Thakkar
  - et al.
- 2023
- ACS Spring 2023
Talk
Towards provably accurate and globally applicable linear-scaling ab initio methods
- - Aleksandros Sobczyk
- 2023
- ACS Spring 2023
Talk
Enzyme optimization via a generative language modeling-based evolutionary algorithm
- - Yves Gaetan Nana Teukam
  - Francesca Grisoni
  - 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
Growing strings in a chemical reaction space for searching retrosynthesis pathways
- - Carlo Baldassari
  - Jannis Born
  - 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
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