公開日期 | 標題 | 作者 | 來源出版物 | scopus | WOS | 全文 |
2022 | TAO-DFT fictitious temperature made simple | Chen, Bo-Jyun; JENG-DA CHAI | RSC advances | 7 | 7 | |
2020 | TAO-DFT investigation of electronic properties of linear and cyclic carbon chains | Seenithurai S., Chai J.-D.; JENG-DA CHAI | Scientific Reports | 22 | 23 | |
2020 | TAO-DFT study on the electronic properties of diamond-shaped graphene nanoflakes | Huang H.-J.; Seenithurai S.; Chai J.-D.; JENG-DA CHAI | Nanomaterials | | | |
2023 | TAO-DFT with the Polarizable Continuum Model | Seenithurai, Sonai; JENG-DA CHAI | Nanomaterials (Basel, Switzerland) | 3 | 0 | |
2020 | TAO-DFT-Based Ab Initio Molecular Dynamics | Shaozhi Li; JENG-DA CHAI | Frontiers in Chemistry | | | |
2009 | The exchange energy of a uniform electron gas experiencing a new, flexible range separation | Parkhill, JA; JENG-DA CHAI ; Dutoi, AD; Head-Gordon, M | Chemical Physics Letters | | 9 | |
2016 | The van der Waals interactions in rare-gas dimers: the role of interparticle interactions | Chen, Yu-Ting; Hui, Kerwin; JENG-DA CHAI | Physical Chemistry Chemical Physics | | | |
2014 | Thermally-assisted-occupation density functional theory with generalized-gradient approximations | JENG-DA CHAI | Journal of Chemical Physics | | 60 | |
2020 | Thermoelectric properties, phonon, and mechanical stability of new half-metallic quaternary Heusler alloys: FeRhCrZ (Z=Si and Ge) | Khandy, Shakeel Ahmad; JENG-DA CHAI | JOURNAL OF APPLIED PHYSICS | | 83 | |
2021 | Understanding the stability concerns and electronic structure of CsYbX3 (X=Cl,Br) halidoperovskites for optoelectronic applications | Shakeel Ahmad Khandy; Saamin Gowhar Vaid; Ishtihadah Islam; Aurangzeb Khurram Hafiz; JENG-DA CHAI | Journal of Alloys and Compounds | | | |