5 ms·
It could help with MD. A lot of MD potentials are developed by kind of regressing results from QM calculations for different atomic configurations (e.g. some v
by Xcelerate 12y ago
It could help with MD. A lot of MD potentials are developed by kind of regressing results from QM calculations for different atomic configurations (e.g. some versions of ReaxFF are based off of DFT calculations).
I actually don't know a whole lot about how exactly QC speeds up computations for things like Quantum Monte Carlo, I just know that an algorithm exists for it (much like Shor's algorithm speeds up integer factorization, but the details are murky for me). I'll have to see if I can find which paper that is.
- mathgenius 12y agoCheck this out: http://arxiv.org/abs/1406.4920 http://arxiv.org/abs/1406.4920