This Special Issue seeks to highlight the latest advances and challenges in the field of molecular crystallography and crystal engineering. Submit your manuscript by April 30, 2025.

A colorful abstract representation of molecules with interconnected spheres and vibrant gradients of purple and pink hues.

This Special Issue covers all aspects of structural studies of molecular crystals, including computational and quantum-crystallographic studies of intermolecular interactions and their energetics, along with applications of such studies in understanding stability and properties of molecular crystalline materials.

Crystal Growth & Design will publish a Special Issue on the topic of “Structure-Function Relationships in Molecular Crystals,” which seeks to highlight the latest advances and challenges in this field.

Topics covered can include, but are not limited to:

  • Computational studies on materials properties;
  • Host-guest supramolecular chemistry;
  • Quantitative studies on intermolecular interactions;
  • X-ray charge density analysis;
  • Molecular wavefunction-based X-ray quantum crystallography;
  • Computational tools for stability and property correlations;
  • Mechanical properties in molecular crystals;
  • Quantitative structural studies on pharmaceutical solids.

Researchers are encouraged to submit their new and unpublished work by April 30, 2025.

Organizing Editors

Editor-in-Chief

Prof. Jonathan W. Steed
Durham University, United Kingdom

Guest Editors

Dr. Sajesh P. Thomas
Indian Institute of Technology Delhi, India

Prof. Simon Grabowsky
University of Bern, Switzerland

Prof. Bo B. Iversen
Aarhus University, Denmark

Submission Information

All manuscripts will undergo rigorous editorial peer review. Articles are published on a rolling basis in an issue of Crystal Growth & Design. Once the Special Issue is complete, all articles will be publicized as a Virtual Collection, which will provide additional exposure for the work. For additional submission instructions, please see the Crystal Growth & Design Author Guidelines.

Open Access: There are diverse open access options for publications in American Chemical Society journals. Please visit our Open Science Resource Center for more information.

How to Submit

  • Log in to the ACS Publishing Center.
  • Select the “Journals” tab.
  • Search for Crystal Growth & Design.
  • Click "Submit."
  • Select your manuscript type, and, under "Special Issue Selection," choose “Design of Crystals via Crystallization Processes."

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