Adrian Roman
Adrian Roman
The images are at a quite low resolution, maybe some enhancements could be added
It might be worth investigate it. Currently it benefits from AVX2 because eigen has avx2 optimizations (so on my computer execution time for tests/examples drops from > 50 sec to...
The project is built with omp turned on and when it used the big matrices obtained by tensor product it benefited from it. Currently those big matrices are avoided, the...
Currently it's tested using FFT, that puts the results very close to the QFT-using ones (fidelity = 1). I have implemented several other ways of simulation to be used as...
An article on it: Quantum Computation by Adiabatic Evolution https://arxiv.org/abs/quant-ph/0001106
With LMTO (see: https://github.com/aromanro/KKR/issues/1) and DFT, a full potential method can be implemented. The code for DFT can be reused from the DFTAtom project https://github.com/aromanro/DFTAtom. It won't happen soon, though,...
Probably it won't happen soon, because I need motivation and some more free time for such bandstructure computations, but it would be nice to add something like Muffin Tin Orbital/Linearized...
A more interesting visualization than the 3D chart that's only a section through space, could be a volumetric visualization.