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
Publications
43 results at 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
Lab automation, data modeling, and AI agents for accelerated catalyst discovery
- 2023
- ACS Fall 2023
Topology-driven pre-training for robust molecular property prediction models
- Aldo Guzmán-Sáenz
- Sanjoy Dey
- 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
Enhancing Molecular Properties Prediction through Multi-Stage Causal Feature Selection
- Eduardo Almeida Soares
- Karen Fiorella Aquino Gutierrez
- et al.
- 2023
- ACS Fall 2023
AI-directed discovery of high entropy electrolyte formulations for batteries using interhalogen cathodes and lithium metal anodes
- 2023
- ACS Fall 2023
Machine Guided Discovery of Novel Carbon Capture Solvents
- Theodore Van Kessel
- Flaviu Cipcigan
- 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
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