Lorenzo Tinacci

icon location Florence icon location A Chemist who switches to the dark side of the force: Ph.D. in Astrophysics. Now R&D Data Scientist. Passion for any kind of knowledge and sports.

Results 1 issues of Lorenzo Tinacci

GFN-FF scalability

3 comment

We try to run a short MDs with GFN-FF on xTB (precompiled 6.4.0 version) on a 1214 atoms (protein + water) on the following specific node: ``` CPU - 2x...

method: GFN-FF