Publications

522 results for Accelerated Discovery

On the increase of the melting temperature of water confined in one-dimensional nano-cavities
- - Flaviano Della Pia
  - Andrea Zen
  - et al.
- 2024
- Journal of Chemical Physics
Unraveling Molecular Structure: A Multimodal Spectroscopic Dataset for Chemistry
- - Marvin Alberts
  - Oliver Schilter
  - et al.
- 2024
- NeurIPS 2024
Neural Network Reparametrization for Accelerated Optimization in Molecular Simulations
- - Nima Dehmamy
  - Csaba Both
  - et al.
- 2024
- NeurIPS 2024
Symmetry-Informed Governing Equation Discovery
- - Jianke Yang
  - Wang Rao
  - et al.
- 2024
- NeurIPS 2024
Physically Compatible 3D Object Modeling from a Single Image
- - Minghao Guo
  - Bohan Wang
  - et al.
- 2024
- NeurIPS 2024
Automated, LLM enabled extraction of synthesis details for reticular materials from scientific literature
- - Viviane T. Silva
  - Alexandre Rademaker
  - et al.
- 2024
- NeurIPS 2024
Enhancing Reasoning to Adapt Large Language Models for Domain-Specific Applications
- - Bo Wen
  - Xin Zhang
- 2024
- NeurIPS 2024
A Mamba-Based Foundation Model for Chemistry
- 2024
- NeurIPS 2024
Improving Structural Plausibility in 3D Molecule Generation via Property-Conditioned Training with Distorted Molecules
- - Lucy Vost
  - Vijil Vijil
  - et al.
- 2024
- NeurIPS 2024
Towards Using Large Language Models and Deep Reinforcement Learning for Inertial Fusion Energy
- - Vadim Elisseev
  - Max Esposito
  - et al.
- 2024
- NeurIPS 2024