Simulating supercritical carbon dioxide flow and trapping in microscopic rock pore networks
- 2022
- APS March Meeting 2022
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
235 results for Materials Discovery
The role of partial charges in data-driven analytics of gas adsorption simulations
- Binquan Luan
- Rodrigo Neumann Barros Ferreira
- et al.
- 2022
- APS March Meeting 2022
Nonbenzenoid High-Spin Polycyclic Hydrocarbons Generated by Atom Manipulation
- Shantanu Mishra
- Shadi Fatayer
- et al.
- 2022
- ACS Nano
Simulating fluid flow at pore scale with carbon dioxide in digital rock
- 2021
- MRS Fall Meeting 2021
Automated AI-driven screening of nanoporous materials for enhanced carbon dioxide adsorption
- Breanndan O'Conchuir
- Rodrigo Neumann Barros Ferreira
- et al.
- 2021
- MRS Fall Meeting 2021
Evaluating Classical Molecular Dynamics Methods for the Validation of Carbon Dioxide Separation Performance in Polymer Membranes
- Ronaldo Giro
- Hsianghan Hsu
- et al.
- 2021
- MRS Fall Meeting 2021
Accelerate Polymer Membrane Discovery for CO2 Separation with Graph-Based Generative Model and Molecular Dynamics Simulation
- Hsianghan Hsu
- Akihiro Kishimoto
- et al.
- 2021
- MRS Fall Meeting 2021
Accelerated Discovery of Novel Solvents for CO2 Capture
- Benjamin Wunsch
- Stacey Gifford
- et al.
- 2021
- MRS Fall Meeting 2021
A roadmap for molecular thermoelectricity
- Andrea Gemma
- Bernd Gotsmann
- 2021
- Nature Nanotechnology
Extraction of organic chemistry grammar from unsupervised learning of chemical reactions
- Philippe Schwaller
- Benjamin Hoover
- et al.
- 2021
- Science Advances