Martin Nováček
+420 220 183 548
Nejnovější publikace
PM6-ML: The Synergy of Semiempirical Quantum Chemistry and Machine Learning Transformed into a Practical Computational Method
Journal of Chemical Theory and Computation 21 (2): 678–690 (2025)
Working with benchmark datasets in the Cuby framework
Journal of Chemical Physics 160: 202501 (2024)