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Preprints
, 2003, Nanoscale-SiC doping for enhancing Jc and Hc2 in the Superconducting MgB2, http://dx.doi.org/10.48550/arxiv.cond-mat/0308265
, 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
, Computational Material Database of Free-Standing 2D Perovskites, http://dx.doi.org/10.26434/chemrxiv-2022-7wqj3
, Large–Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction, http://dx.doi.org/10.26434/chemrxiv.6143732.v2
, Large–Scale Computational Screening of Molecular Organic Semiconductors Using Crystal Structure Prediction, http://dx.doi.org/10.26434/chemrxiv.6143732.v1
, 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