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
Publications
591 results for Accelerated Discovery
Human-AI Co-Creation Approach to Find Forever Chemicals Replacements
- 2023
- CHI 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
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
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
Universal catalysts for CO2 capture, storage and upcycling to high value materials
- James Hedrick
- Dino Wu
- et al.
- 2023
- ACS Spring 2023