Room: Meeting ID: 984 0221 7373 | Passcode: 605622

DFTB+, the Fast Way of Quantum Mechanical Simulations

The Density Functional Tight Binding (DFTB) method [1] is an approximate Density Functional Theory (DFT) based framework, which allows for quantum mechanicalsimulations of large systems being typically two or three orders of magnitudefaster than comparable ab initio DFT calculations. [more]
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