Alexey L Kaledin

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 15

Top Topics

Electron Transfer

Top Venues

The journal of physical chemistry letters

Journal of the American Chemical Society

Journal of chemical theory and computation

Inorganic chemistry

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

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)
Sheng He, Anji Ni, Sara T Gebre, Rui Hang, James R McBride, Alexey L Kaledin, Wenxing Yang, Tianquan Lian
Doping of Colloidal Nanocrystals for Optimizing Interfacial Charge Transfer: A Double-Edged Sword. Journal of the American Chemical Society (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)
David M Soro, Jose B Roque, Jonas W Rackl, Bohyun Park, Stefan Payer, Yuan Shi, J Craig Ruble, Alexey L Kaledin, Mu-Hyun Baik, Djamaladdin G Musaev, Richmond Sarpong
Photo- and Metal-Mediated Deconstructive Approaches to Cyclic Aliphatic Amine Diversification. Journal of the American Chemical Society (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)
Meilin Tao, Qiushi Yin, Alexey L Kaledin, Natalie Uhlikova, Xinlin Lu, Ting Cheng, Yu-Sheng Chen, Tianquan Lian, Yurii V Geletii, Djamaladdin G Musaev, John Bacsa, Craig L Hill
Structurally Precise Two-Transition-Metal Water Oxidation Catalysts: Quantifying Adjacent 3d Metals by Synchrotron X-Radiation Anomalous Dispersion Scattering. Inorganic chemistry 61 (16) (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)
Wenxing Yang, Yawei Yang, Alexey L Kaledin, Sheng He, Tao Jin, James R McBride, Tianquan Lian
Surface passivation extends single and biexciton lifetimes of InP quantum dots. Chemical science 11 (22) (2020)
Tyler G Grissom, Anna M Plonka, Conor H Sharp, Amani M Ebrahim, Yiyao Tian, Daniel L Collins-Wildman, Alexey L Kaledin, Harrison J Siegal, Diego Troya, Craig L Hill, Anatoly I Frenkel, Djamaladdin G Musaev, Wesley O Gordon, Christopher J Karwacki, Mark B Mitchell, John R Morris
Metal-Organic Framework- and Polyoxometalate-Based Sorbents for the Uptake and Destruction of Chemical Warfare Agents. ACS applied materials & interfaces 12 (13) (2020)
Alexey L Kaledin, Craig L Hill, Tianquan Lian, Djamaladdin G Musaev
Modulating electronic coupling at the quantum dot/molecule interface by wavefunction engineering. The Journal of chemical physics 150 (12) (2019)
Brian M Wieliczka, Alexey L Kaledin, William E Buhro, Richard A Loomis
Wave Function Engineering in CdSe/PbS Core/Shell Quantum Dots. ACS nano 12 (6) (2018)