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.
Unlocking the Molecular Mechanisms of BSEP Dysfunction: Toward Precision Therapies for PFIC2
From protein structure to precision medicine – how structural perturbations in a membrane protein may offer a blueprint to creating targeted therapies for a rare childhood genetic disease.
