4 citations · 4 across the 3 of their papers we have counts for
3 papers
physics.atm-clus2025
Taylor-mode automatic differentiation for constructing molecular rovibrational Hamiltonian operators
Andrey Yachmenev, Emil Vogt, Álvaro Fernández Corral +1
We present an automated framework for constructing Taylor series expansions of rovibrational kinetic and potential energy operators for arbitrary molecules, internal coordinate sys…
physics.chem-ph2025★ 4 cited
Transferability and interpretability of vibrational normalizing-flow coordinates
Emil Vogt, Álvaro Fernández Corral, Yahya Saleh +1
The choice of vibrational coordinates is crucial for the accuracy, efficiency, and interpretability of molecular vibrational dynamics and spectra calculations. We explore the recen…
math.GM2023
Fractional integration and differentiation
Oleg Yaremko, Andrey Yachmenev
In this paper, we introduce a new method for calculating fractional integrals and differentials. The method involves an equation that we have obtained from infinite applied integra…