Behind the Paper
The real stories behind the latest research papers, from conception to publication, the highs and the lows
Efficient Machine Learning Protocol For Photodynamics Simulations
Our recent article in npj Computational Materials presents an efficient ML protocol for accelerating photodynamics simulations, while tackling many key issues making machine learning of excited states difficult.
Systematic and Reversible Control of Linear Conjugation along Polymer Backbones
The extended π-conjugated structure within polymers can be dynamically formed in situ and reversibly controlled through stimuli, enabling the polymers to possess both insulator and semiconductor properties.
Machine-learning design of ductile 2-GPa Alloys
Machine learning enabled the design of 2 GPa ductile alloys with truly uniform elongation. A unique microstructure promotes high work hardening and ductility, overcoming century-long challenges and key limitations of existing ultra-strong alloys.
A PurFect strategy for tuberculosis drug discovery?
Tuberculosis treatment urgently needs new drugs targeting novel pathways. Here, we present a new compound which inhibits PurF, a key enzyme in purine biosynthesis. These findings offer a promising strategy to tackle drug-resistant TB and enhance the effectiveness of current treatment regimens.
