Publications

532 results for Accelerated Discovery

Combining Data and Theory for Derivable Scientific Discovery with AI-Descartes
- - Cristina Cornelio
  - Sanjeeb Dash
  - et al.
- 2023
- Nature Communications
Molecular rotations, multi-scale order, hyperuniformity and signatures of metastability during the compression/decompression cycles of amorphous ices.
- - Maud Formanek
  - Salvatore Torquato
  - et al.
- 2023
- The Journal of Physical Chemistry B
Human-AI Co-Creation Approach to Find Forever Chemicals Replacements
- - Juliana Jansen Ferreira
  - Vinicius Segura
  - et al.
- 2023
- CHI 2023
Quantum Chemical Data Generation as Fill-In for Reliability Enhancement of Machine-Learning Reaction and Retrosynthesis Planning
- - Alessandra Toniato
  - Jan Unsleber
  - et al.
- 2023
- MRS Spring Meeting 2023
Cost-Sensitive Bayesian Active Molecular Design with Auxiliary Properties
- - Elliot Nelson
  - Dmitry Zubarev
- 2023
- MRS Spring Meeting 2023
Machine-Learning Potentials for Molecular Dynamics Simulations of CO² Chemisorption and Diffusion in Mg-MOF-74
- - Binquan Luan
  - Bowen Zheng
  - et al.
- 2023
- MRS Spring Meeting 2023
Graph-based Tool for Exploring PubMed Knowledge Base
- - Simone Bottoni
  - Alberto Trombetta
  - et al.
- 2023
- ICDE 2023
Evaluating Social Determinants of Health Variables in Advanced Analytic and Artificial Intelligence Models for Cardiovascular Disease Risk and Outcomes: A Targeted Review
- - Jane Snowdon
  - Elisabeth Scheufele
  - et al.
- 2023
- Ethnicity & Disease
Surrogate models for the synthesis of colloidal sol-gel materials
- - Tim Erdmann
  - Jason Chen
  - et al.
- 2023
- ACS Spring 2023
MDLab: AI frameworks for Carbon Capture and Battery Materials
- - Bruce Elmegreen
  - Hendrik Hamann
  - et al.
- 2023
- ICR 2023