Publications

26914 results for Science

Predicting polymerization reactions via transfer learning using chemical language models
- - Ronaldo Giro
  - Brenda S. Ferrari
  - et al.
- 2024
- ACS Fall 2024
Talk
PFACTS: Faster solutions for forever chemicals
- - Brandi Ransom
  - Dan Sanders
  - et al.
- 2024
- ACS Fall 2024
Talk
Towards accelerating small molecule drug discovery with pre-trained, late fusion multi-view models
- - Joseph Morrone
  - Diwakar Mahajan
  - et al.
- 2024
- ACS Fall 2024
Talk
Combining Bayesian optimization and automation to simultaneously optimize reaction conditions and routes
- - Oliver Schilter
  - Daniel Pacheco Gutierrez
  - et al.
- 2024
- ACS Fall 2024
Talk
Selecting Covalent Organic Frameworks for Gas Capture using micro-Raman Spectroscopy
- - Geisa Lima
  - Matheus Esteves Ferreira
  - et al.
- 2024
- ACS Fall 2024
Talk
On-chip ultrafast all-optical transistor
- - Pietro Tassan
  - Bartos Chmielak
  - et al.
- 2024
- SPIE Optics + Photonics 2024
Talk
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
Talk
Lifecycle materials design tool
- - Brandi Ransom
  - Benjamin Wunsch
  - et al.
- 2024
- ACS Fall 2024
Talk
Balancing Computational Chemistry's Green Potential With Its Environmental Impact
- - Oliver Schilter
  - Teodoro Laino
  - et al.
- 2024
- ACS Fall 2024
Talk
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
Talk