News

May 2026: 

Our proposal on Computational Design of Molecules for Biomedical Applications has received LBRN/NIH Start-up funding (2026–2027). This award will support research at the intersection of computational chemistry, molecular design, and biomedical innovation. 

May 2026: 

Our recent ChemPhysChem publication on molecular photoswitch design has been selected as a Wiley Top Viewed Article 2025. The work establishes new mechanistic design principles for controlling photochemical reactivity in molecular switching systems. 

https://chemistry-europe.onlinelibrary.wiley.com/doi/pdf/10.1002/cphc.202400786 

April 2026: 

Our research has been accepted for publication in Nature Physics. In this work, we show that chemical reactions can undergo topological transitions analogous to those studied in quantum materials, opening a new bridge between chemistry, condensed matter physics, and topology. 

November 2025: 

Our Chemistry-Biology joint project on ML-Based Molecular Dynamics Framework for Biomedical Applications has received LBRN funding (2025–2026). 

September 2025: 

A molecular formation mechanism previously proposed by us through computational chemistry has been supported by the subsequent astronomical detection of the corresponding isomer in interstellar space, highlighting the predictive role of theoretical chemistry in molecular discovery beyond Earth. https://www.aanda.org/articles/aa/pdf/2025/11/aa56709-25.pdf