Accelerating the density-functional tight-binding method using graphical processing units - Universität Bremen
Density functional tight binding
Electron density from the fragment molecular orbital method combined with density-functional tight-binding - ScienceDirect
Database of Wannier tight-binding Hamiltonians using high-throughput density functional theory | Scientific Data
Density functional-based tight-binding modelling. Modelling of a 1.988... | Download Scientific Diagram
nanoGe - SCHP - Use of an Extended Density Functional Tight Binding Method for a Fast Computation of Metal Halide Perovskites Properties
Time Dependent Density Functional Theory + Tight Binding gradients – C.M. Aikens & S. Havenridge - YouTube
Hybrid functionals for periodic systems in the density functional tight- binding method - Universität Bremen
Artificial neural network correction for density-functional tight-binding molecular dynamics simulations | MRS Communications | Cambridge Core
![PDF] Tight-binding approximations to time-dependent density functional theory - A fast approach for the calculation of electronically excited states. | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/f085140593b23c9458e056e861599353835961a4/5-Figure1-1.png "PDF] Tight-binding approximations to time-dependent density functional theory - A fast approach for the calculation of electronically excited states. | Semantic Scholar")
PDF] Tight-binding approximations to time-dependent density functional theory - A fast approach for the calculation of electronically excited states. | Semantic Scholar
Webinar 4: Time Dependent Density Functional Theory (TDDFT) + Tight Binding (TB) gradients - Software for Chemistry & Materials Software for Chemistry & Materials
nanoHUB.org - Resources: Density Functional Tight Binding (DFTB) Modeling in the Context of Ultra-Thin Silicon-on-Insulator MOSFETs: Watch Presentation
Benchmark and performance of long-range corrected time-dependent density functional tight binding (LC-TD-DFTB) on rhodopsins and light-harvesting complexes - Physical Chemistry Chemical Physics (RSC Publishing)
density functional theory - DFT vs tight-binding solutions for a Dirac cone in graphene: Why is the DFT version squeezed? - Matter Modeling Stack Exchange
Full article: Density-functional tight-binding: basic concepts and applications to molecules and clusters
Density-Functional Tight-Binding (DFTB) as fast approximate DFT method - An introduction | PPT
Density Functional Tight Binding Methods | NIST
Computational Chemistry Highlights: A Density Functional Tight Binding Layer for Deep Learning of Chemical Hamiltonians
Multipole Expansion of Atomic Electron Density Fluctuation Interactions in the Density-Functional Tight-Binding Method - Universität Bremen
Density-functional tight-binding for phosphine-stabilized nanoscale gold clusters - Chemical Science (RSC Publishing)
![PDF] Density-functional based tight-binding: an approximate DFT method | Semantic Scholar](https://d3i71xaburhd42.cloudfront.net/0acb6429eeedaebdbb73892007db5ea9ab90a73b/4-Figure1-1.png "PDF] Density-functional based tight-binding: an approximate DFT method | Semantic Scholar")
PDF] Density-functional based tight-binding: an approximate DFT method | Semantic Scholar
Density-Functional Tight-Binding (DFTB) as fast approximate DFT method - An introduction | PPT
A Density Functional Tight Binding Layer for Deep Learning of Chemical Hamiltonians | Journal of Chemical Theory and Computation
Benchmarks of the density functional tight-binding method for redox, protonation and electronic properties of quinones - Physical Chemistry Chemical Physics (RSC Publishing)
Accurate Many-Body Repulsive Potentials for Density-Functional Tight Binding from Deep Tensor Neural Networks | The Journal of Physical Chemistry Letters
Comprehensive Assessment of GFN Tight-Binding and Composite Density Functional Theory Methods for Calculating Gas-Phase Infrared Spectra | Journal of Chemical Theory and Computation
Comparative density functional theory and density functional tight binding study of 2-anthroic acid on TiO2 - ScienceDirect
The fragment molecular orbital method combined with density-functional tight -binding and the polarizable continuum model - Physical Chemistry Chemical Physics (RSC Publishing)
Absorption Properties of Large Complex Molecular Systems: The DFTB/Fluctuating Charge Approach | Journal of Chemical Theory and Computation
