Martina Kaledin
11PUBLICATIONS
4CO-AUTHORS
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Publications (11)
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|Oct 22, 2025
First-Principles Molecular Dynamics Simulations of Infrared and Raman Vibrational Spectra of H5O2+, D5O2+, DH4O2+, and D4HO2+ from 50 to 300 K.Oluwaseun Omodemi, Martina Kaledin
|Feb 24, 2025
First-Principles Path Integral Monte Carlo Studies of the Pseudo Jahn-Teller Effect in the Aromatic Cyclo[10]carbon.Anna H James, Martina Kaledin, Alexey L Kaledin
|Aug 29, 2024
A Low-Order Permutationally Invariant Polynomial Approach to Learning Potential Energy Surfaces Using the Bond-Order Charge-Density Matrix: Application to C Clusters for n = 3-10, 20.Jose Gutierrez-Cardenas, Benjamin D Gibbas, Kyle Whitaker
|May 03, 2024
Quantum Monte Carlo Simulations of the Vibrational Wavefunction of the Aromatic Cyclo[10]carbon Using a Full Dimensional Permutationally Invariant Potential Energy Surface.Benjamin D Gibbas, Martina Kaledin, Alexey L Kaledin
|Aug 10, 2023
Fitting Potential Energy Surfaces by Learning the Charge Density Matrix with Permutationally Invariant Polynomials.Younos Hashem, Katheryn Foust, Martina Kaledin
|Oct 22, 2022
A Fermi resonance and a parallel-proton-transfer overtone in the Raman spectrum of linear centrosymmetric N4H+: A polarizability-driven first principles molecular dynamics study.Oluwaseun Omodemi, Ramsay Revennaugh, Janiyah Riley
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