Alexey L. Kaledin

Emory University

United States

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Articles (14)

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2024

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2021

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2021

Collaborators (5)

Ming Tang

Associate Professor

University of Utah

UNITED STATES

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Yurii V. Geletii

Emory University

UNITED STATES

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Jose. B. Roque

Princeton University

UNITED STATES

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Martina Kaledin

Professor

Kennesaw State University

UNITED STATES

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Tianquan Lian

Emory University

UNITED STATES

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Alexey L. Kaledin

Research Interests

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Articles (14)

Oligoyne bridges enable strong through-bond coupling and efficient triplet transfer from CdSe QD trap excitons for photon upconversion

A Low-Order Permutationally Invariant Polynomial Approach to Learning Potential Energy Surfaces Using the Bond-Order Charge-Density Matrix: Application to Cn Clusters for n = 3–10, 20

Doping of Colloidal Nanocrystals for Optimizing Interfacial Charge Transfer: A Double-Edged Sword

Quantum Monte Carlo Simulations of the Vibrational Wavefunction of the Aromatic Cyclo[10]carbon Using a Full Dimensional Permutationally Invariant Potential Energy Surface

Fitting Potential Energy Surfaces by Learning the Charge Density Matrix with Permutationally Invariant Polynomials

Revisiting the N(N + 1)/2‐site s‐type Gaussian charge model for permutationally invariant polynomial fitting of global molecular tensor surfaces

Photo- and Metal-Mediated Deconstructive Approaches to Cyclic Aliphatic Amine Diversification

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

Permutationally invariant polynomial representation of polarizability tensor surfaces for linear regression analysis

On the Cartesian Representation of the Molecular Polarizability Tensor Surface by Polynomial Fitting to Ab Initio Data

Structurally Precise Two-Transition-Metal Water Oxidation Catalysts: Quantifying Adjacent 3d Metals by Synchrotron X-Radiation Anomalous Dispersion Scattering

A polarizability driven ab initio molecular dynamics approach to stimulating Raman activity: Application to C20

Polyniobate Nanothreads for Decomposition of the Nerve Agent Simulant Dimethyl Chlorophosphate

The electronic structure of the actinide oxides and their singly and doubly charged cations: A ligand field approach

Collaborators (5)

Ming Tang

Yurii V. Geletii

Jose. B. Roque

Martina Kaledin

Tianquan Lian

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