Study by Prof. Zhang et al. published in Science

Study by Prof. Zhang et al. published in Science

New TMM Team Member

We are pleased to welcome Olga Kashirina. She has joined us on 15 August 2026 as a PhD student on the Iron up! Framework SFB 1487 Project.

New Team Member in TMM Research Group

We are pleased to welcome Saptarshi Mandal who has joined TMM as a PhD student from the Indian Institute of Technology Jodhpur on 1 August.

LLM agent ranks 2nd place for World Cup 2026 betting！

During the World Cup 2026, our group organized a friendly prediction competition to add some extra fun and excitement to the tournament. Group members submitted their forecasts for the match results and competed for the highest overall prediction score.

1 July 2026

We congratulate Yixuan Zhang to his successful defense of his PhD dissertation and his new title. The topic of his thesis is: „Physics-informed inverse design of materials“. We wish Yixuan all the best for the future and the next steps in his career.

Proceedings of the National Academy of Sciences (PNAS)

Congratulations to Fu Li on his article on shift current anomalous photovoltaics in a double perovskite ferroelectric published in in PNAS in April 2026.

25 March 2026

We congratulate Mian Dai to his successful defense of his PhD dissertation. The topic of his thesis is: „Design of Entropy-Driven Functional Materials via Bayesian Optimization“. We wish Mian all the best for his career and are pleased that he will stay with us as a postdoc researcher for the coming months.

Nano Letters

Congratulations to Fu Li and Dr. Hao Wang on their recent publication in ACS Nano Letters on spin Hall conductivity in two-dimensional materials.

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.