Surface reaction calculations with quantum computers for battery materials
- 2024
- ACS Fall 2024
Publications
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22 results at ACS Fall 2024
MoLMamba: A Large State-Space-based Foundation Model for Chemistry
- Eduardo Almeida Soares
- Victor Shirasuna
- et al.
- 2024
- ACS Fall 2024
Harnessing negative data for enhancing model learning in chemistry
- Alessandra Toniato
- Mara Graziani
- et al.
- 2024
- ACS Fall 2024
PFACTS: Faster solutions for forever chemicals
- Brandi Ransom
- Dan Sanders
- 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
Lifecycle materials design tool
- Brandi Ransom
- Benjamin Wunsch
- 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
A Multimodal Transformer Model for comprehensive Structure Elucidation
- Marvin Alberts
- Oliver Schilter
- 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
Towards accelerating small molecule drug discovery with pre-trained, late fusion multi-view models
- 2024
- ACS Fall 2024