Jeng-Da Chai, Ph.D.
Affiliations: | Physics | National Taiwan University, Taipei, Taipei City, Taiwan |
Area:
Density Functional TheoryWebsite:
http://web.phys.ntu.edu.tw/jdchai/Google:
"Jeng-Da Chai"Bio:
Mean distance: 8.44 | S | N | B | C | P |
Cross-listing: Chemistry Tree
Parents
Sign in to add mentor| David Gordon Stroud | grad student | 1999-2002 | Ohio State | |
| John D. Weeks | grad student | 2002-2005 | University of Maryland (Chemistry Tree) | |
| (Orbital-free density functional theory of atoms, molecules, and solids.) | ||||
| Martin Head-Gordon | post-doc | 2006-2009 | UC Berkeley (Chemistry Tree) | |
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Publications
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| Seenithurai S, Chai JD. (2024) Electronic Properties of Graphene Nano-Parallelograms: A Thermally Assisted Occupation DFT Computational Study. Molecules (Basel, Switzerland). 29 |
| Johny Dathees T, Narmatha G, Prabakaran G, et al. (2024) Salicylaldehyde built fluorescent probe for dual sensing of Al, Zn ions: Applications in latent fingerprint, bio-imaging & real sample analysis. Food Chemistry. 441: 138362 |
| Tsai HY, Chai JD. (2023) Real-Time Extension of TAO-DFT. Molecules (Basel, Switzerland). 28 |
| Seenithurai S, Chai JD. (2023) TAO-DFT with the Polarizable Continuum Model. Nanomaterials (Basel, Switzerland). 13 |
| Chen CC, Chai JD. (2022) Electronic Properties of Hexagonal Graphene Quantum Rings from TAO-DFT. Nanomaterials (Basel, Switzerland). 12 |
| Chen BJ, Chai JD. (2022) TAO-DFT fictitious temperature made simple. Rsc Advances. 12: 12193-12210 |
| Seenithurai S, Chai JD. (2021) Electronic Properties of Carbon Nanobelts Predicted by Thermally-Assisted-Occupation DFT. Nanomaterials (Basel, Switzerland). 11 |
| Epifanovsky E, Gilbert ATB, Feng X, et al. (2021) Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package. The Journal of Chemical Physics. 155: 084801 |
| Khandy SA, Chai J. (2021) Strain engineering of electronic structure, phonon, and thermoelectric properties of p-type half-Heusler semiconductor Journal of Alloys and Compounds. 850: 156615 |
| Li S, Chai JD. (2020) TAO-DFT-Based Molecular Dynamics. Frontiers in Chemistry. 8: 589432 |