Themed collection MSDE Emerging Investigators
Gradient-based active learning for intelligent discovery of colloidal phase diagrams
Rapid and accurate prediction of the colloidal phase diagrams is necessary for controlling their structure and properties.
Mol. Syst. Des. Eng., 2026,11, 552-565
https://doi.org/10.1039/D5ME00233H
Towards best practices in low-dimensional semi-supervised latent Bayesian optimization for the design of antimicrobial peptides
Searching through a low-dimensional projection rather than the full latent space associated with a generative model can improve performance and interpretability for biomolecular design.
Mol. Syst. Des. Eng., 2026, Advance Article
https://doi.org/10.1039/D5ME00225G
Naphthalene diimide-based molecular salts: tuning molecular arrangements for efficient electron transport
We demonstrate a naphthalene diimide arrangement that enables efficient electron transport by modulating the molecular arrangement and analyzing the intermolecular interactions.
Mol. Syst. Des. Eng., 2026, Advance Article
https://doi.org/10.1039/D6ME00033A
About this collection
MSDE is pleased to present this growing web collection, showcasing the work being conducted by Emerging Investigators in all areas of molecular engineering across the globe. It highlights up-and-coming scientists in the early stages of their independent careers, who have been identified as having the potential to influence future directions in the field.
This collection will be updated as new Emerging Investigator Series papers are published – so keep checking this page and watch the collection grow.
More details about the Emerging Investigator Series can be found on the blog, including details on how to apply for consideration and more information about the corresponding authors featured in this collection.