Machine-Learning Potentials for Simulating CO2 Chemisorption
- Binquan Luan
- Carine Dos Santos
- et al.
- 2024
- APS March Meeting 2024
Publications
Date
Featured collections
Popular topics
1756 results for Impact Science
Towards operational methane emission detection from oil and gas facilities through multi-modal sensing and advanced dispersion and atmospheric modeling
- Arash Fathi
- Joao Lucas de Sousa Almeida
- et al.
- 2023
- AGU Fall 2023
In-silico Polymer Generation using fine-tuned Regression Transformers with Open Reference Data
- Ronaldo Giro
- Hsiang Han Hsu
- et al.
- 2023
- MRS Fall Meeting 2023
Leveraging machine learning and combinatorial signaling motif libraries for engineering CAR T cells
- 2023
- ACS Fall 2023
Geometry evolution of porous media due to coupled reactive-transport processes within capillary networks
- David Alejandro Lazo Vasquez
- Jaione Tirapu Azpiroz
- et al.
- 2023
- ACS Fall 2023
Graph-based 3D Generative Small-Molecule Modeling Targeting for Multi Proteins with Enhanced Binding Compatibility
- Seung Gu Kang
- Jeff Weber
- et al.
- 2023
- ACS Fall 2023
Machine-Learning Potentials for Molecular Dynamics Simulations of CO2 Chemisorption and Diffusion in Mg-MOF-74
- Binquan Luan
- Bowen Zheng
- et al.
- 2023
- MRS Spring Meeting 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
Comparative efficacy of antiviral strategies targeting different stages of the viral life cycle: A viral quasispecies dynamics study
- Pancy Lwin
- Greyson R. Lewis
- et al.
- 2023
- APS March Meeting 2023
Ubiquitous Stick-Slip Motions: from Tribology, Biosensing to Carbon Capture
- Binquan Luan
- 2023
- APS March Meeting 2023