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
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
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
Mapping the space of chemical reactions using attention-based neural networks
- Philippe Schwaller
- Daniel Probst
- et al.
- 2021
- Nature Machine Intelligence
Brush-like polycarbonates containing dopamine, cations, and PEG providing a broad-spectrum, antibacterial, and antifouling surface via one-step coating
- Chuan Yang
- Xin Ding
- et al.
- 2014
- Advanced Materials
High efficiency Cu2ZnSn(S,Se)4 solar cells by applying a double in 2S3/CdS Emitter
- Jeehwan Kim
- Homare Hiroi
- et al.
- 2014
- Advanced Materials
Nanoelectrical analysis of single molecules and atomic-scale materials at the solid/liquid interface
- Peter Nirmalraj
- Damien Thompson
- et al.
- 2014
- Nature Materials
Three-dimensional nanofabrication by block copolymer self-assembly
- Caroline A. Ross
- Karl K. Berggren
- et al.
- 2014
- Advanced Materials