Publications

26317 results for Science

A Multimodal Transformer Model for comprehensive Structure Elucidation
- - Marvin Alberts
  - Oliver Schilter
  - et al.
- 2024
- ACS Fall 2024
Lifecycle materials design tool
- - Brandi Ransom
  - Benjamin Wunsch
  - 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
AI-Assisted Raman Spectral Peak Label Assignment
- 2024
- ACS Fall 2024
MorganGen: Generative Modeling of SMILES Using Morgan Fingerprint Features
- - Lam Thanh Hoang
  - Raúl Fernández Díaz
  - 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
Effect of dataset partitioning strategies for evaluating out-of-distribution generalisation for predictive models in biochemistry
- - Raúl Fernández Díaz
  - Lam Thanh Hoang
  - et al.
- 2024
- ACS Fall 2024
Analysis of docking for binding affinity prediction
- - Raúl Fernández Díaz
  - Denis Shields
  - et al.
- 2024
- ACS Fall 2024
Designed semiconductor network random lasers
- - Dhruv Saxena
  - Anna Fischer
  - et al.
- 2024
- Laser Photonics Rev.
Positivity-preserving discontinuous spectral element methods for compressible multi-species flows
- - W. Trojak
  - Tarik Dzanic
- 2024
- Computers & Fluids