Computational Materials Discovery for Carbon Dioxide Capture Applications
- 2024
- APS March Meeting 2024
Publications
Date
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Popular topics
251 results for Climate and Sustainability
Universal catalysts for CO2 capture, storage and upcycling to high value materials
- James Hedrick
- Dino Wu
- et al.
- 2023
- ACS Spring 2023
AI for Accelerated Discovery of Materials for Carbon Capture
- Stacey Gifford
- 2021
- MRS Fall Meeting 2021
CRAFTED - An exploratory database of simulated adsorption isotherms of metal-organic frameworks
- Felipe Lopes de Oliveira
- Conor Cleeton
- et al.
- 2023
- ACS Spring 2023
PFACTS: Faster solutions for forever chemicals
- Brandi Ransom
- Dan Sanders
- et al.
- 2024
- ACS Fall 2024
Lifecycle materials design tool
- Brandi Ransom
- Benjamin Wunsch
- et al.
- 2024
- ACS Fall 2024
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
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
Automated Artificial-intelligence Inverse Design of Polymer Membranes for CO2 Capture and Separation
- Ronaldo Giro
- Hsianghan Hsu
- et al.
- 2022
- MRS Fall Meeting 2022