Intersectional Effects of Crystal Features on the Actuation Performance of Dynamic Molecular Crystals

Jad Mahmoud Halabi, Marieh B. Al-Handawi, Rodrigo Ceballos, Panče Naumov

Research output: Contribution to journalArticlepeer-review


Despite being researched for decades, shape-shifting molecular crystals have yet to claim their spot as an actuating materials class among the primary functional materials. While the process for developing and commercializing materials can be lengthy, it inevitably starts with building an extensive knowledge base, which for molecular crystal actuators remains scattered and disjointed. Using machine learning for the first time, we identify inherent features and structure-function relationships that fundamentally impact the mechanical response of molecular crystal actuators. Our model can factor in different crystal properties in tandem and decipher their intersectional and combined effects on each actuation performance. This analysis is an open invitation to utilize interdisciplinary expertise in translating the current basic research on molecular crystal actuators into technology-based development that promotes large-scale experimentation and prototyping.

Original languageEnglish (US)
Pages (from-to)12173-12180
Number of pages8
JournalJournal of the American Chemical Society
Issue number22
StatePublished - Jun 7 2023

ASJC Scopus subject areas

  • Catalysis
  • General Chemistry
  • Biochemistry
  • Colloid and Surface Chemistry


Dive into the research topics of 'Intersectional Effects of Crystal Features on the Actuation Performance of Dynamic Molecular Crystals'. Together they form a unique fingerprint.

Cite this