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S. Tretiak · SciRah

Researcher profile · Semantic Scholar

S. Tretiak

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S. Tretiak — researcher profile on SciRah

h-index: 75
Works: 522
Citations: 29K

Most-cited papers

Uncertainty-driven dynamics for active learning of interatomic potentials
M. Kulichenko, K. Barros, N. Lubbers, Ying-Wai Li +4 more
2023Nature Computational Science185 citations Open access
Semantic Scholar
Extending machine learning beyond interatomic potentials for predicting molecular properties
Nikita Fedik, R. Zubatyuk, M. Kulichenko, N. Lubbers +8 more
2022Nature Reviews Chemistry153 citations
Semantic Scholar
The Rise of Neural Networks for Materials and Chemical Dynamics.
M. Kulichenko, Justin S. Smith, B. Nebgen, Ying-Wai Li +5 more
2021Journal of Physical Chemistry Letters88 citations Open access
Semantic Scholar
Variational quantum eigensolver with reduced circuit complexity
Yu Zhang, L. Cincio, C. Negre, Piotr Czarnik +5 more
2021npj Quantum Information87 citations Open access
Semantic Scholar
Long Carrier Diffusion Length in Two-Dimensional Lead Halide Perovskite Single Crystals
S. Shrestha, Xinxin Li, H. Tsai, Cheng-Hung Hou +7 more
2021Social Science Research Network79 citations Open access
Semantic Scholar
Learning together: Towards foundation models for machine learning interatomic potentials with meta-learning
Alice E. A. Allen, N. Lubbers, Sakib Matin, Justin S. Smith +3 more
2023npj Computational Materials65 citations Open access
Semantic Scholar
Deep learning of dynamically responsive chemical Hamiltonians with semiempirical quantum mechanics
Guo-Qing Zhou, N. Lubbers, K. Barros, S. Tretiak +1 more
2022Proceedings of the National Academy of Sciences of the United States of America57 citations Open access
Semantic Scholar
Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer
Ayush Asthana, Ashutosh Kumar, Vibin Abraham, Harper R. Grimsley +7 more
2022Chemical Science54 citations Open access
Semantic Scholar
Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits.
Ashutosh Kumar, Ayush Asthana, Conner Masteran, Edward F. Valeev +4 more
2022Journal of Chemical Theory and Computation46 citations
Semantic Scholar
Plasmon mediated coherent population oscillations in molecular aggregates
Daniel Timmer, Moritz Gittinger, T. Quenzel, S. Stephan +8 more
2023Nature Communications41 citations Open access
Semantic Scholar
Quantum Simulation of Molecular Response Properties in the NISQ Era.
Ashutosh Kumar, Ayush Asthana, Vibin Abraham, T. Crawford +5 more
2023Journal of Chemical Theory and Computation40 citations
Semantic Scholar
Quantum Davidson algorithm for excited states
N. Tkachenko, L. Cincio, A. Boldyrev, S. Tretiak +2 more
2022Quantum Science and Technology40 citations Open access
Semantic Scholar
Tunable Optical Features of Graphene Quantum Dots from Edge Functionalization
Andrew Sheely, B. Gifford, S. Tretiak, A. Bishop
2021Journal of Physical Chemistry C40 citations
Semantic Scholar
Computing molecular excited states on a D-Wave quantum annealer
A. Teplukhin, B. Kendrick, S. Mniszewski, Yu Zhang +5 more
2021Scientific Reports39 citations Open access
Semantic Scholar
NWChem: Recent and Ongoing Developments.
Daniel Mejía-Rodríguez, E. Aprá, J. Autschbach, N. Bauman +12 more
2023Journal of Chemical Theory and Computation37 citations Open access
Semantic Scholar
Two Dimensional MOene: From Superconductors to Direct Semiconductors and Weyl Fermions.
Luo Yan, Jiao-Jiao Zhu, Bao-Tian Wang, Junjie He +4 more
2022Nano letters (Print)36 citations
Semantic Scholar
Nonadiabatic Excited-State Molecular Dynamics Methodologies: Comparison and Convergence.
V. M. Freixas, A. White, Tammie R. Nelson, Hua-Jing Song +4 more
2021Journal of Physical Chemistry Letters36 citations Open access
Semantic Scholar
Robust Unencapsulated Perovskite Solar Cells Protected by a Fluorinated Fullerene Electron Transporting Layer
Hsin-Hsiang Huang, H. Tsai, R. Raja, Shu-Ling Lin +8 more
2021ACS Energy Letters34 citations Open access
Semantic Scholar
Plasmon-Enhanced Exciton Delocalization in Squaraine-Type Molecular Aggregates.
T. Quenzel, Daniel Timmer, Moritz Gittinger, Jennifer Zablocki +9 more
2022ACS Nano33 citations Open access
Semantic Scholar
Enantioselectivity in the Noyori–Ikariya Asymmetric Transfer Hydrogenation of Ketones
Pavel A. Dub, N. Tkachenko, Vijyesh K. Vyas, M. Wills +2 more
2021Organometallics33 citations
Semantic Scholar
Induced Chirality in Halide Perovskite Clusters through Surface Chemistry.
A. Forde, D. Ghosh, D. Kilin, A. Evans +2 more
2022Journal of Physical Chemistry Letters32 citations
Semantic Scholar
Millimeter‐Size All‐inorganic Perovskite Crystalline Thin Film Grown by Chemical Vapor Deposition
Yuan Zhou, K. Fernando, Juanyong Wan, Fang-Ze Liu +8 more
2021Advanced Functional Materials31 citations Open access
Semantic Scholar
Photoluminescence Dynamics Defined by Exciton Trapping Potential of Coupled Defect States in DNA-Functionalized Carbon Nanotubes.
Yu Zheng, B. Weight, A. Jones, Vigneshwaran Chandrasekaran +4 more
2021ACS Nano28 citations Open access
Semantic Scholar
NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations.
V. M. Freixas, Walter Malone, Xinyang Li, Hua-Jing Song +16 more
2023Journal of Chemical Theory and Computation27 citations Open access
Semantic Scholar
Charge Delocalization and Vibronic Couplings in Quadrupolar Squaraine Dyes.
Daniel Timmer, Fulu Zheng, Moritz Gittinger, T. Quenzel +11 more
2022Journal of the American Chemical Society26 citations Open access
Semantic Scholar
Machine learning approaches for structural and thermodynamic properties of a Lennard-Jones fluid.
G. Craven, N. Lubbers, K. Barros, S. Tretiak
2020Journal of Chemical Physics25 citations Open access
Semantic Scholar
An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem.
Hua-Jing Song, V. M. Freixas, S. Fernandez-Alberti, A. White +4 more
2021Journal of Chemical Theory and Computation24 citations Open access
Semantic Scholar
Addressing the Voltage Induced Instability Problem of Perovskite Semiconductor Detectors
H. Tsai, Dibyajyoti Ghosh, Wyatt Panaccione, Li-Yun Su +5 more
2022ACS Energy Letters23 citations
Semantic Scholar
Excited-State Properties of Defected Halide Perovskite Quantum Dots: Insights from Computation.
Carlos Mora Perez, D. Ghosh, O. Prezhdo, S. Tretiak +1 more
2021Journal of Physical Chemistry Letters23 citations
Semantic Scholar
Frenkel biexcitons in hybrid HJ photophysical aggregates
Elizabeth Gutiérrez-Meza, Ravyn Malatesta, Hong-Mo Li, I. Bargigia +8 more
2021Science Advances23 citations Open access
Semantic Scholar
Highly efficient photoelectric effect in halide perovskites for regenerative electron sources
Fang-Ze Liu, S. Sidhik, M. Hoffbauer, Sina G. Lewis +12 more
2021Nature Communications22 citations Open access
Semantic Scholar
Interplay between Electrostatic Properties of Molecular Adducts and Their Positions at Carbon Nanotubes
B. Weight, B. Gifford, S. Tretiak, Svetlana V. Kilina
202121 citations Open access
Semantic Scholar
Structural Dynamics and Electronic Properties of Semiconductor Quantum Dots: Computational Insights
D. Ghosh, S. Ivanov, S. Tretiak
2021Chemistry of Materials20 citations
Semantic Scholar
Signatures of Chemical Dopants in Simulated Resonance Raman Spectroscopy of Carbon Nanotubes
B. Weight, M. Zheng, S. Tretiak
2023Journal of Physical Chemistry Letters19 citations Open access
Semantic Scholar
Coupling between Emissive Defects on Carbon Nanotubes: Modeling Insights.
B. Weight, Andrew E. Sifain, B. Gifford, D. Kilin +2 more
2021Journal of Physical Chemistry Letters19 citations Open access
Semantic Scholar
Quantum Efficiency Gain in 2D Perovskite Photo and X‐Ray Detectors
H. Tsai, L. Pan, Xinxin Li, Jinkyoung Yoo +4 more
2023Advanced Optical Materials18 citations Open access
Semantic Scholar
Point Defects in Two-Dimensional Ruddlesden-Popper Perovskites Explored with Ab Initio Calculations.
Carlos Mora Perez, D. Ghosh, O. Prezhdo, W. Nie +2 more
2022Journal of Physical Chemistry Letters18 citations
Semantic Scholar
Photochemical spin-state control of binding configuration for tailoring organic color center emission in carbon nanotubes
Yu Zheng, Yu-Lun Han, B. Weight, Zhi-Wei Lin +7 more
2022Nature Communications18 citations Open access
Semantic Scholar
Enhanced Emission from Bright Excitons in Asymmetrically Strained Colloidal CdSe/CdxZn1-xSe Quantum Dots.
Igor Fedin, M. Goryca, Dan Liu, S. Tretiak +2 more
2021ACS Nano18 citations Open access
Semantic Scholar
Impact of Graphene Quantum Dot Edge Morphologies on Their Optical Properties.
Shahriar N. Khan, B. Weight, B. Gifford, S. Tretiak +1 more
2022Journal of Physical Chemistry Letters17 citations
Semantic Scholar
Infinitene: Computational Insights from Nonadiabatic Excited State Dynamics.
V. M. Freixas, S. Tretiak, S. Fernandez-Alberti
2022Journal of Physical Chemistry Letters17 citations Open access
Semantic Scholar
Reduction of the molecular hamiltonian matrix using quantum community detection
S. Mniszewski, Pavel A. Dub, S. Tretiak, P. Anisimov +2 more
2021Scientific Reports17 citations Open access
Semantic Scholar
Predicting phosphorescence energies and inferring wavefunction localization with machine learning
Andrew E. Sifain, Levi Lystrom, Richard A. Messerly, Justin S. Smith +5 more
2021Chemical Science17 citations Open access
Semantic Scholar
Nonadiabatic molecular dynamics analysis of hybrid Dion–Jacobson 2D leads iodide perovskites
Ying Wang, L. Pédesseau, C. Katan, J. Even +4 more
2021Applied Physics Letters17 citations Open access
Semantic Scholar
Thiophene-Based Polyelectrolyte Boosts High Performance Quasi-2d Perovskite Solar Cells with Ultra-Low Energy Loss
Hsin-Hsiang Huang, Tso-An Yang, Li-Yun Su, Chiung-Han Chen +8 more
2023Social Science Research Network16 citations
Semantic Scholar
Control of Polaronic Behavior and Carrier Lifetimes via Metal and Anion Alloying in Chalcogenide Perovskites.
Qiao Li, Luo Yan, Weibin Chu, Junjie He +4 more
2022Journal of Physical Chemistry Letters16 citations
Semantic Scholar
3D Nanographene Precursor Suppress Interfacial Recombination in PEDOT: PSS based Perovskite Solar Cells
Chintam Hanmandlu, Rohan Paste, H. Tsai, Shyam Narayan Singh Yadav +16 more
2022Nano Energy16 citations Open access
Semantic Scholar
Partitioning Quantum Chemistry Simulations with Clifford Circuits.
Philipp Schleich, Joseph Boen, L. Cincio, Abhinav Anand +4 more
2023Journal of Chemical Theory and Computation15 citations Open access
Semantic Scholar
Microcrystal Electron Diffraction for Molecular Design of Functional Non-Fullerene Acceptor Structures
Steve L. Halaby, M. Martynowycz, Ziyue Zhu, S. Tretiak +3 more
2021Chemistry of Materials15 citations Open access
Semantic Scholar
Molecular dynamics on quantum annealers
Igor Gaidai, D. Babikov, A. Teplukhin, B. Kendrick +4 more
2021Scientific Reports13 citations Open access
Semantic Scholar

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