Martina Kaledin

ORCID

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 11

Top Venues

The journal of physical chemistry letters

The journal of physical chemistry. A

Journal of chemical theory and computation

Journal of computational chemistry

Kennesaw State University

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Kennesaw State University Aug 01 2011

United States

Associate Professor :: Chemistry and Biochemistry

Publications

Benjamin D Gibbas, Martina Kaledin, Alexey L Kaledin
Quantum Monte Carlo Simulations of the Vibrational Wavefunction of the Aromatic Cyclo[10]carbon Using a Full Dimensional Permutationally Invariant Potential Energy Surface. The journal of physical chemistry letters 15 (19) (2024)
Benjamin D Gibbas, Martina Kaledin, Alexey L Kaledin
Quantum Monte Carlo Simulations of the Vibrational Wavefunction of the Aromatic Cyclo[10]carbon Using a Full Dimensional Permutationally Invariant Potential Energy Surface. The journal of physical chemistry letters 15 (19) (2024)
Jose Gutierrez-Cardenas, Benjamin D Gibbas, Kyle Whitaker, Martina Kaledin, Alexey L Kaledin
A Low-Order Permutationally Invariant Polynomial Approach to Learning Potential Energy Surfaces Using the Bond-Order Charge-Density Matrix: Application to C n Clusters for n = 3-10, 20. The journal of physical chemistry. A (2024)
Benjamin D Gibbas, Martina Kaledin, Alexey L Kaledin
Quantum Monte Carlo Simulations of the Vibrational Wavefunction of the Aromatic Cyclo[10]carbon Using a Full Dimensional Permutationally Invariant Potential Energy Surface. The journal of physical chemistry letters 15 (19) (2024)
Benjamin D Gibbas, Martina Kaledin, Alexey L Kaledin
Quantum Monte Carlo Simulations of the Vibrational Wavefunction of the Aromatic Cyclo[10]carbon Using a Full Dimensional Permutationally Invariant Potential Energy Surface. The journal of physical chemistry letters (2024)
Younos Hashem, Katheryn Foust, Martina Kaledin, Alexey L Kaledin
Fitting Potential Energy Surfaces by Learning the Charge Density Matrix with Permutationally Invariant Polynomials. Journal of chemical theory and computation (2023)
Oluwaseun Omodemi, Martina Kaledin, Alexey L Kaledin
Permutationally invariant polynomial representation of polarizability tensor surfaces for linear regression analysis. Journal of computational chemistry 43 (22) (2022)
Dalton Boutwell, Dominick Pierre-Jacques, Olivia Cochran, Jason Dyke, Dayana Salazar, Ciara Tyler, Martina Kaledin
Intramolecular Proton Transfer in the Hydrogen Oxalate Anion and the Cooperativity Effects of the Low-Frequency Vibrations: A Driven Molecular Dynamics Study. The journal of physical chemistry. A 126 (4) (2022)
Oluwaseun Omodemi, Sarah Sprouse, Destyni Herbert, Martina Kaledin, Alexey L Kaledin
On the Cartesian Representation of the Molecular Polarizability Tensor Surface by Polynomial Fitting to Ab Initio Data. Journal of chemical theory and computation 18 (1) (2021)
Dalton Boutwell, Onyinye Okere, Oluwaseun Omodemi, Alexander Toledo, Antonio Barrios, Monique Olocha, Martina Kaledin
Analysis of the Proton Transfer Bands in the Infrared Spectra of Linear N2H+···OC and N2D+···OC Complexes Using Electric Field-Driven Classical Trajectories. The journal of physical chemistry. A 124 (37) (2020)
Reagan Hooper, Dalton Boutwell, Martina Kaledin
Assignment of Infrared-Active Combination Bands in the Vibrational Spectra of Protonated Molecular Clusters Using Driven Classical Trajectories: Application to N4H+ and N4D. The journal of physical chemistry. A 123 (26) (2019)

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Publication Activity (10 Years)

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Martina Kaledin