Welcome to my Personal Website

Abstract We introduce Quantum Mechanics for Proteins (QMProt), a dataset developed to support quantum computing applications in protein research. QMProt contains precise quantum-mechanical and physicochemical data, enabling accurate characterization of biomolecules and supporting advanced computational methods like molecular fragmentation and reassembly. The dataset includes 45 molecules covering all 20 essential... [Read More]

Abstract Protein characterization is one of the key components for understanding the human body and advancing drug discovery processes. While the future of quantum hardware holds the potential to accurately characterize these molecules, current efforts focus on developing strategies to fragment large molecules into computationally manageable subsystems. In this work,... [Read More]