MatGFN-PFAS: An AI-driven approach for toxic PFAS replacement
- 2024
- ACS Spring 2024
Publications
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- Materials Discovery
3431 results for Materials Discovery
Phase transitions beyond criticality: using analytic corrections to extend the validity of renormalization group scaling
- David Hathcock
- James Sethna
- 2024
- APS March Meeting 2024
Enzeptional: enzyme optimization via a generative language modeling-based evolutionary algorithm
- 2023
- MRS Fall Meeting 2023
Accelerated Electrolyte Discovery using Data Driven Approach
- 2023
- ACS Fall 2023
Unveiling the Role of Hydrophobic Lipid Bilayer for Membrane Protein Folding Stability and Function
- Seung Gu Kang
- Shaima Muhammednazaar
- et al.
- 2023
- ACS Fall 2023
Variable-Temperature Hall Study in High Performance Perovskite and Kesterite Films Using High Sensitivity Parallel-Dipole-Line Hall System
- Oki Gunawan
- Chaeyoun Kim
- et al.
- 2023
- MRS Spring Meeting 2023
Computational screening of solid sorbent materials for CO2 capture from molecular to process level
- Rodrigo Neumann Barros Ferreira
- Binquan Luan
- et al.
- 2023
- ACS Spring 2023
Active site sequence representation of human kinases outperforms full sequence for affinity prediction and inhibitor generation: 3D effects in a 1D model
- Jannis Born
- Tien Huynh
- et al.
- 2022
- ACS Spring 2022
Toward Human-AI Co-creation to Accelerate Material Discovery
- Dmitry Zubarev
- Carlos Raoni De Alencar Mendes
- et al.
- 2022
- NeurIPS 2022
An Empirical Evaluation of Zeroth-Order Optimization Methods on AI-driven Molecule Optimization
- Elvin Lo
- Pin-Yu Chen
- 2022
- NeurIPS 2022