Machine Guided Discovery of Novel Carbon Capture Solvents
- Theodore Van Kessel
- Flaviu Cipcigan
- et al.
- 2023
- ACS Fall 2023
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43 results at 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 chemistry simulation of ground- and excited-state properties of the sulfonium cation on a superconducting quantum processor
- Mario Motta
- Gavin Jones
- et al.
- 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
Interpretable latent representations for molecular property prediction models
- Sanjoy Dey
- Partha Suryanarayanan
- et al.
- 2023
- ACS Fall 2023
Lab automation, data modeling, and AI agents for accelerated catalyst discovery
- 2023
- ACS Fall 2023
Accelerated Electrolyte Discovery using Data Driven Approach
- 2023
- ACS Fall 2023
Tool to isolate and identify impactful submolecular motifs – rBRICS
- 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
Expanded Dataset for Improved Prediction of Chemical Biodegradability
- Eduardo Almeida Soares
- Victor Shirasuna
- et al.
- 2023
- ACS Fall 2023