Multithreaded parallelization of the energy and analytic gradient in the fragment molecular orbital method Publications Quantum Chemistry
Coupled‐cluster singles, doubles and perturbative triples with density fitting approximation for massively parallel heterogeneous platforms Publications Quantum Chemistry
Single- and Multi-Component Chiral Supraparticles as Modular Enantioselective Catalysts Publications Nature Communications
Design‐to‐Device Approach Affords Panchromatic Co‐Sensitized Solar Cells Publications Advanced Energy Materials
Iron‐Nanoparticle Driven Tribochemistry Leading to Superlubric Sliding Interfaces Publications Advanced Materials Interfaces
Geometric Controls on Pulse‐Like Rupture in a Dynamic Model of the 2015 Gorkha Earthquake Publications Journal of Geophysical Research
Field-Induced Carrier Localization Transition in Dielectric Polymers Publications Journal of Physical Chemistry Letters
Teaching an Old Dog New Tricks: Machine Learning an Improved TIP3P Potential Model for Liquid−Vapor Phase Phenomena Publications Journal of Physical Chemistry
Phenylated Acene Derivatives as Candidates for Intermolecular Singlet Fission Publications Journal of Physical Chemistry