Publications

24419 results for Exploratory Science

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
Multimodal Molecular Representation Learning for Small Molecule Drug Discovery - Pretraining and Early Fusion Architectures
- - Partha Suryanarayanan
  - Shreyans Sethi
  - et al.
- 2024
- ACS Fall 2024
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
Exploring Near-Term Quantum Algorithms for Chemical Reaction Studies and AI-driven Algorithm Advancements
- - Ieva Liepuoniute
  - Mario Motta
  - 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
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
Predicting polymerization reactions via transfer learning using chemical language models
- - Ronaldo Giro
  - Brenda S. Ferrari
  - et al.
- 2024
- ACS Fall 2024
Dataset of Reticular Materials' Syntheses Automatically Created from PDFs by using LLMs
- 2024
- ACS Fall 2024
On-chip ultrafast all-optical transistor
- - Pietro Tassan
  - Bartos Chmielak
  - et al.
- 2024
- SPIE Optics + Photonics 2024