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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Materials Discovery

3421 results for Materials Discovery

Computational Materials Discovery for Carbon Dioxide Capture Applications
- - Mathias Steiner
- 2024
- APS March Meeting 2024
Ferroelectric Hafnia Superlattices for Bio-Inspired Computing
- - Laura Bégon-Lours
  - Elisabetta Morabito
  - et al.
- 2023
- MRS Fall Meeting 2023
Automatic structure elucidation from IR spectra
- - Marvin Alberts
  - Teodoro Laino
  - et al.
- 2023
- ACS Fall 2023
Harnessing the Power of Language Models to Accelerate Material Design
- - Matteo Manica
- 2023
- ACS Fall 2023
Opportunities of topological semimetals as novel material for computing. Experimental transport studies and devices
- - Heinz Schmid
  - Alan Molinari
  - et al.
- 2023
- MRS Spring Meeting 2023
Materials Design of OTS Selectors and Phase-Change Materials for 3D Cross-point Memory Technology
- - Michelle Cheng
  - Wei-Chih Chien
  - et al.
- 2023
- MRS Spring Meeting 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
A system for understanding molecular formula patterns for non-stoichiometric, variable inorganic compounds
- - Tom Griffin
  - Kristin Schmidt
- 2022
- ACS Fall 2022
CRAFTED - An exploratory database of simulated adsorption isotherms of metal-organic frameworks
- - Felipe Lopes de Oliveira
  - Conor Cleeton
  - et al.
- 2023
- ACS Spring 2023
Transformer-based neural networks capture organic chemistry grammar from unsupervised learning of chemical reactions
- - Philippe Schwaller
  - Benjamin Hoover
  - et al.
- 2021
- ACS Spring 2021