Application of Organic Catalysis and Sustainable Chemistry Towards Materials Discovery
- James Hedrick
- 2023
- ACS Fall 2023
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43 results at ACS Fall 2023
Utilizing domain-specific languages as a tools for enabling AI-guided materials design
- 2023
- ACS Fall 2023
Hydrogen bond vs cationic activation: Exploring next generation design motifs for ROP organocatalysts
- Jia Zhang
- Caleb Jadrich
- et al.
- 2023
- ACS Fall 2023
Understanding the role of mass transport and lithium interphase design in enabling conversion batteries
- 2023
- ACS Fall 2023
PatCID: Large-scale chemical-structure database from images in patent documents
- Ingmar Meijer
- Valery Weber
- et al.
- 2023
- ACS Fall 2023
Quantum computing study of molecular properties treating nuclear quantum effects
- Yukio Kawashima
- Tanvi Gujarati
- et al.
- 2023
- ACS Fall 2023
Potential pitfalls in the use of quantum computing hardware-efficient Ansatze in electronic structure theory
- Ruhee D'cunha
- Mario Motta
- et al.
- 2023
- ACS Fall 2023
Quantum machine learning force fields
- Francesco Tacchino
- Oriel Kiss
- et al.
- 2023
- ACS Fall 2023
Seeing the unseen: leveraging vision models to extract digital fingerprints of complex liquids
- Gianmarco Gabrieli
- Matteo Manica
- et al.
- 2023
- ACS Fall 2023
Folding and misfolding of Huntingtin protein from a coevolutionary perspective
- 2023
- ACS Fall 2023