Publications

This is our catalog of recent publications authored by IBM researchers, in collaboration with the global research community. We’re currently adding our back catalog of more than 110,000 publications. 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

Year

342 results for Materials Discovery

Envisioning Generative AI Interaction for Collaborative Design
- - Stephanie Houde
  - Siya Kunde
  - et al.
- 2023
- DIS 2023
A process-level perspective on the impact of molecular force fields on the computational screening of MOFs for carbon capture
- - Conor Cleeton
  - Felipe Lopes de Oliveira
  - et al.
- 2023
- MEDPore 2023
Human-AI Co-Creation Approach to Find Forever Chemicals Replacements
- - Juliana Jansen Ferreira
  - Vinicius Segura
  - et al.
- 2023
- CHI 2023
Towards an Approximation-Aware Computational Workflow Framework for Accelerating Large-Scale Discovery Tasks
- - Michael A. Johnston
  - Vassils Vassiliadis
- 2022
- ApPLIED 2022
Formulation Graphs for Mapping Structure-Composition of Battery Electrolytes to Device Performance
- - Vidushi Sharma
  - Maxwell Giammona
  - et al.
- 2023
- J. Chem. Inf. Model.
Dynamics of fixed-volume pinned films - Dealing with a non-self-adjoint thin-film problem
- - Israel Gabay
  - Vesna Bacheva
  - et al.
- 2023
- Journal of Fluid Mechanics
Fueling the Digital Chemistry Revolution with Language Models
- - Antonio Cardinale
  - Alessandro Castrogiovanni
  - et al.
- 2023
- Chimia
Standardizing chemical compounds with language models
- - Miruna T Cretu
  - Alessandra Toniato
  - et al.
- 2023
- Machine Learning: Science and Tech.
A process-level perspective of the impact of molecular force fields on the computational screening of MOFs for carbon capture
- - Conor Cleeton
  - Felipe Lopes de Oliveira
  - et al.
- 2023
- Energy and Environmental Science
Full scale, microscopically resolved tomographies of sandstone and carbonate rocks augmented by experimental porosity and permeability values
- - Matheus Esteves Ferreira
  - Mariana Del Grande
  - et al.
- 2023
- Scientific Data