Nano Energy in March 2026

Congratulations to Ruiwen Xie for publishing an article in Nano Energy together with Maximilian Melling (Surface Science Laboratory).

Review on generative deep learning for materials science

TMM has contributed to the book “Artificial Intelligence and Intelligent Matter” by Michael Te Vrugt (Editor) published by Springer in January 2026. The chapter written by TMM is a review on how generative deep learning drives the “inverse design” of materials. It shows that deep learning is no longer just performing forward predictions from structure to properties, but it establishes sampleable and controllable generative mechanisms on the structure-property mapping, thereby directly proposing candidate materials that meet target properties in high-dimensional spaces. Congratulations to our authors Yixuan Zhang, Teng Long and Prof. Hongbin Zhang for their work!!

Nature Communications

Congratulations to Hao Wang and Chen Shen to publishing an article in Nature Communications in January 2026 contributing to theoretical insight into 2D semiconductor contacts. The joint study together with Yuhan Zhu and Feng Wang of the National Center for Nanoscience and Technology, Beijing, P. R. China shows a new strategy to achieve low-resistance p-type contacts to the two-dimensional semiconductor MoTe₂ using metallic tellurium.

Frontiers of Physics

Congratulations to Wenling Ren for publishing an article in the Frontiers of Physics Journal in December 2025.

New Team Member

We welcome Dr. Miftahussurur Hamidi Putra who has joined us from the Institute of Theoretical Chemistry at the University of Ulm on 1 January 2026.

Winner of 5th Computational Materials Science Rising Stars Prize

Our former team member Chen Shen was awarded the 5th Rising Stars in Computational Material Science Prize by the publisher ELSEVIER in September 2025.

Lennard-Jones Centre-CECAM Meeting 2025 in Cambridge, 1-5 September 2025

Furong Chen has been awarded a prize for best poster at the Lennard-Jones Centre-CECAM Meeting 2025 in Cambridge on: From Electrons to Atoms, Molecules and Materials, which took place from 1st September to Friday, 5th September 2025.

on SuperSalt for modelling molten salts

Congratulations to Yixuan Zhang and Dr. Chen Shen (graduated in 2022) to their new publication on SuperSalt, which was published in August 2025 in Nature Communications.