Publications

This is our catalog of publications authored by IBM researchers, in collaboration with the global research community. It’s an ever-growing body of work that shows why IBM is one of the most important contributors to modern computing.

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14 results at ACS Spring 2023

Increasing the adoption of machine learning technologies by chemists with graphical and programmatic interfaces
- - Alain Vaucher
  - Matteo Manica
  - et al.
- 2023
- ACS Spring 2023
Universal catalysts for CO2 capture, storage and upcycling to high value materials
- - James Hedrick
  - Dino Wu
  - 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
Surrogate models for the synthesis of colloidal sol-gel materials
- - Tim Erdmann
  - Jason Chen
  - 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
NeuTE - Neural Template Extraction
- - Amol Thakkar
  - Teodoro Laino
- 2023
- ACS Spring 2023
Data-Driven Reaction Template Fingerprints
- - Anubhab Chakraborty
  - Amol Thakkar
  - et al.
- 2023
- ACS Spring 2023
Towards provably accurate and globally applicable linear-scaling ab initio methods
- - Aleksandros Sobczyk
- 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