Exploring Near-Term Quantum Algorithms for Chemical Reaction Studies and AI-driven Algorithm Advancements
- Ieva Liepuoniute
- Mario Motta
- et al.
- 2024
- ACS Fall 2024
Publications
24845 results for Exploratory Science
In-situ characterization of metal-organic frameworks: A combined DFT and micro-Raman spectroscopy approach
- Matheus Esteves Ferreira
- Geisa Lima
- et al.
- 2024
- ACS Fall 2024
Towards accelerating small molecule drug discovery with pre-trained, late fusion multi-view models
- Joseph Morrone
- Diwakar Mahajan
- et al.
- 2024
- ACS Fall 2024
Predicting polymerization reactions via transfer learning using chemical language models
- Ronaldo Giro
- Brenda S. Ferrari
- et al.
- 2024
- ACS Fall 2024
On-chip ultrafast all-optical transistor
- Pietro Tassan
- Bartos Chmielak
- et al.
- 2024
- SPIE Optics + Photonics 2024
On-chip ultrafast all-optical transistor
- Pietro Tassan
- Bartos Chmielak
- et al.
- 2024
- SPIE Optics + Photonics 2024
Multimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion Architectures
- Partha Suryanarayanan
- Shreyans Sethi
- et al.
- 2024
- ACS Fall 2024
Atomistic simulations and machine learning approaches to investigate bromoform interactions with cell membranes: Implications for seaweed-based methane emission reduction
- Jie Shi
- Kevin Cheng
- et al.
- 2024
- ACS Fall 2024
Selecting Covalent Organic Frameworks for Gas Capture using micro-Raman Spectroscopy
- Geisa Lima
- Matheus Esteves Ferreira
- et al.
- 2024
- ACS Fall 2024
A Multimodal Transformer Model for comprehensive Structure Elucidation
- Marvin Alberts
- Oliver Schilter
- et al.
- 2024
- ACS Fall 2024