Select Publications
By Dr Jack Yang
Preprints
, 2025, Flexoelectricity-driven giant polarization in (Bi, Na)TiO3-based ferroelectric thin films, http://dx.doi.org/10.21203/rs.3.rs-6051347/v1
, 2024, Accounting for the Vibrational Contribution to the Configurational Entropy in Disordered Solids with Machine Learned Forcefields: A Case Study of Garnet Electrolyte Li7La3Zr2O12, http://dx.doi.org/10.26434/chemrxiv-2024-xbsdb
, 2022, Computational Material Database of Free-Standing 2D Perovskites, http://dx.doi.org/10.26434/chemrxiv-2022-7wqj3
, 2021, Composition and Dimension Dependent Static and Dynamic Stabilities of Inorganic Mixed Halide Antimony Perovskites, http://dx.doi.org/10.26434/chemrxiv.14191301.v1
, 2021, Composition and Dimension Dependent Static and Dynamic Stabilities of Inorganic Mixed Halide Antimony Perovskites, http://dx.doi.org/10.26434/chemrxiv.14191301
, 2020, Mapping Temperature-Dependent Energy-Structure-Property Relationships for Solid Solutions of Inorganic Halide Perovskites, http://dx.doi.org/10.26434/chemrxiv.12927359.v1
, 2020, Mapping Temperature-Dependent Energy-Structure-Property Relationships for Solid Solutions of Inorganic Halide Perovskites, http://dx.doi.org/10.26434/chemrxiv.12927359
, 2019, The Interplay among Molecular Structures, Crystal Symmetries and Lattice Energy Landscapes Revealed by Unsupervised Machine Learning: A Closer Look at Pyrrole Azaphenacenes, http://dx.doi.org/10.26434/chemrxiv.9037481
, 2019, The Interplay among Molecular Structures, Crystal Symmetries and Lattice Energy Landscapes Revealed by Unsupervised Machine Learning: A Closer Look at Pyrrole Azaphenacenes, http://dx.doi.org/10.26434/chemrxiv.9037481.v1
, 2018, Large–Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction, http://dx.doi.org/10.26434/chemrxiv.6143732.v2
, 2018, Large–Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction, http://dx.doi.org/10.26434/chemrxiv.6143732.v1
, 2008, Enhancement of CO detection in Al doped graphene, http://dx.doi.org/10.48550/arxiv.0806.3172
, Multi-Interfacial Ni/Mo2c Ultrafine Hybrids Anchored on Nitrogen-Doped Carbon Nanosheets as a Highly Efficient Electrocatalyst for Water Splitting, http://dx.doi.org/10.2139/ssrn.4111426