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| Title | Author(s) | Issue Date | |
|---|---|---|---|
Model Order Reduction for Quantum Transport Simulation of Nanoelectronic Devices Proceeding/Conference:Proceedings of the 14th IEEE HK/Macau AP/MTT Postgraduate Conference | 2013 | ||
Improving the Performance of Long-Range-Corrected Exchange-Correlation Functional with an Embedded Neural Network Journal:The Journal of Physical Chemistry A | 2017 | ||
Size-independent neural networks based first-principles method for accurate prediction of heat of formation of fuels Journal:The Journal of Chemical Physics | 2018 | ||
Efficient Corrections for DFT Noncovalent Interactions Based on Ensemble Learning Models Journal:Journal of Chemical Information and Modeling | 2019 | ||
Fundamental Limit to Scaling Si Field-Effect Transistors Due to Source-to-Drain Direct Tunneling Journal:IEEE Transactions on Electron Devices | 2019 | ||
First principles investigation of the surface stability and equilibrium morphology of MoO3 Journal:Applied Surface Science | 2019 | ||
Stark control of electrons along nanojunctions Journal:Nature Communications | 2018 | ||
STM Imaging of Electron Migration in Real Space and Time: A Simulation Study Journal:Nano Letters | 2019 | ||
Can Molecular Quantum Interference Effect Transistors Survive Vibration? Journal:The Journal of Physical Chemistry Letters | 2017 | ||
Localized-Density-Matrix Method, and its Application to Carbon Nanotubes Proceeding/Conference:Proceedings of Advanced Study Institute on the Physics and Chemistry of Nanostructured Materials, Hong Kong University of Science and Technology, Hong Kong, March 31 | 1999 | ||
Quantum mechanical investigation of field emission mechanism of a 1 micrometer long single-walled carbon nanotube Proceeding/Conference:Theory and Applications of Computational Chemistry, TACC-2004 | 2004 | ||
Multi-Dimensional Entropy Sampling Monte Carlo Method, and the Free Energy Landscapes of Clusters Proceeding/Conference:Proceedings of Symposium on Frontiers of Chemistry - in Conjunction with the Second Conference for Worldwide Chinese Young Chemists (CWCYC-2) held at the Hong Kong University of Science and Technology, Hong Kong, December 20-23 | 1997 | ||
Experimental and Theoretical Studies of Diatomic Iridium Compounds Proceeding/Conference:The 63rd International Symposium on Molecular Spectroscopy, Ohio State University, Ohio, U.S.A., June 16, | 2008 | ||
Formation of novel pattern by programming cell motility Proceeding/Conference:Research Postgraduate Symposium, RPS 2009 | 2009 | ||
Existence of A Density-Functional Theory for Open Electronic Systems Proceeding/Conference:International Conference of Computational Methods in Science and Engineering 2006, (ICCMSE 2006), October 27 - November 1, 2006, Greece | 2006 | ||
Error correction of calculated heat of formation Proceeding/Conference:The National American Chemical Society Meeting | 2003 | ||
Reduced density matrices and effective hamiltonians in conjugated systems Proceeding/Conference:Abstracts of the 214th ACS National Meeting held at Las Vegas, Nevada, USA, September 7, 1997 | 1997 | ||
Maxwell's demon and Smoluchowski's trap door Journal:Physical Review E (Statistical, Nonlinear, and Soft Matter Physics) | 2007 | ||
Computer simulation of Feynman's ratchet and pawl system Journal:Physical Review E (Statistical, Nonlinear, and Soft Matter Physics) | 2010 | ||
Erratum: Maxwell's demon and Smoluchowski's trap door (Physical Review e - Statistical, Nonlinear, and Soft Matter Physics (2007) 75 (041109)) Journal:Physical Review E (Statistical, Nonlinear, and Soft Matter Physics) | 2007 | ||
Linear scaling calculation of excited-state properties of polyacetylene Journal:Physical Review B (Condensed Matter) | 1999 | ||
Density matrix negativity for two oscillators in an Agarwal bath Journal:Physical Review E (Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics) | 2002 | ||
Low-lying excited states of light-harvesting system II in purple bacteria Journal:Journal of Physical Chemistry B | 2003 | ||
Linear-scaling time-dependent density-functional theory Journal:Physical Review B (Condensed Matter) | 2003 | ||
Bending instability characteristics of double-walled carbon nanotubes Journal:Physical Review B (Condensed Matter and Materials Physics) | 2005 |