28 citations · 56 across the 4 of their papers we have counts for
3 papers · 1 filter
Large Vibrationally Induced Parity Violation Effects in CHDBrI A Promising Candidate for Future Experiments
Eduardus, Yuval Shagam, Arie Landau +4
The isotopically chiral molecular ion CHDBrI is identified as an exceptionally promising candidate for the detection of parity violation in vibrational transitions. The largest…
HOAX: A Hyperparameter Optimization Algorithm Explorer for Neural Networks
Albert Thie, Maximilian F. S. J. Menger, Shirin Faraji
Computational chemistry has become an important tool to predict and understand molecular properties and reactions. Even though recent years have seen a significant growth in new al…
INAQS, a generic interface for non-adiabatic QM/MM dynamics: Design, implementation, and validation for GROMACS/Q-CHEM simulations
D. Vale Cofer-Shabica, Maximilian F. S. J. Menger, Qi Ou +3
The accurate description of large molecular systems in complex environments remains an ongoing challenge for the field of computational chemistry. This problem is even more pronoun…