Sergei Tretiak (S Tretiak)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 161

Top Venues

The journal of physical chemistry letters

Journal of chemical theory and computation

ACS nano

Chemical science

University of Rochester (PHD)

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

Education History

University of Rochester Sep 01 1994 - Feb 15 1999

United States

PHD :: Chemistry

Publications

Carlos L Bassani, Greg van Anders, Uri Banin, Dmitry Baranov, Qian Chen, Marjolein Dijkstra, Michael S Dimitriyev, Efi Efrati, Jordi Faraudo, Oleg Gang, Nicola Gaston, Ramin Golestanian, Guillermo Iván Guerrero-García, Michael Gruenwald, Amir Haji-Akbari, Maria Ibáñez, Matthias Karg, Tobias Kraus, Byeongdu Lee, Reid C Van Lehn, Robert J Macfarlane, Bortolo Matteo Mognetti, Arash Nikoubashman, Saeed Osat, Oleg V Prezhdo, Grant M Rotskoff, Leonor Saiz, An-Chang Shi, Sara E Skrabalak, Ivan I Smalyukh, Mario Tagliazucchi, Dmitri V Talapin, Alexei V Tkachenko, Sergei Tretiak, David Vaknin, Asaph Widmer-Cooper, Gerard C L Wong, Xingchen Ye, Shan Zhou, Eran Rabani, Michael Engel, Alex Travesset
Nanocrystal Assemblies: Current Advances and Open Problems. ACS nano 18 (23) (2024)
Nicolas Oldani, Victor Manuel Freixas, Dianelys Ondarse-Alvarez, Sahar Sharifzadeh, Tammie R Gibson, Sergei Tretiak, Sebastian Fernandez-Alberti
Electronic Couplings versus Thermal Fluctuations in the Internal Conversion of Perylene Diimides: The Battle to Localize the Exciton. Journal of chemical theory and computation (2024)
Qiao-Qiao Li, Anqi Huang, Chongfeng Fan, Luo Yan, Sergei Tretiak, Liujiang Zhou
Extending the Charge Carrier Recombination Lifetime by Octahedral Rotations in Ruddlesden-Popper Ba 3 Zr 2 S 7 Perovskites. The journal of physical chemistry letters (2024)
Shuhao Zhang, Małgorzata Zofia Makoś, Ryan B Jadrich, Elfi Kraka, Kipton Barros, Benjamin T Nebgen, Sergei Tretiak, Oleksandr Isaev, Nicholas Lubbers, Richard A Messerly, Justin S Smith
Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential. Nature chemistry 16 (5) (2024)
Haoran Qu, Yulun Han, Jacob Fortner, Xiaojian Wu, Svetlana V Kilina, Dmitri S Kilin, Sergei Tretiak, YuHuang Wang
[2 + 2] Cycloaddition Produces Divalent Organic Color-Centers with Reduced Heterogeneity in Single-Walled Carbon Nanotubes. Journal of the American Chemical Society (2024)
Royle Perez-Castillo, Victor Manuel Freixas, Shaul Mukamel, Aliezer Martinez-Mesa, Llinersy Uranga-Piña, Sergei Tretiak, Maxim F Gelin, Sebastian Fernandez-Alberti
Transient-absorption spectroscopy of dendrimers via nonadiabatic excited-state dynamics simulations. Chemical science 15 (33) (2024)
Kushal Samanta, Priyanka Deswal, Shayeeque Alam, Manav Bhati, Sergei A Ivanov, Sergei Tretiak, Dibyajyoti Ghosh
Ligand Controls Excited Charge Carrier Dynamics in Metal-Rich CdSe Quantum Dots: Computational Insights. ACS nano (2024)
Patrick J Skrodzki, Maksim Y Livshits, Prashant Padmanabhan, Samuel M Greer, Taylor Buckway, Francesca Elverson, Cassandra Gates, Jacob Ward, Pinku Roy, Aiping Chen, Richard L Sandberg, Sergei Tretiak, Matthew Carpenter, Benjamin W Stein, Pamela Bowlan
Extreme Ultraviolet Reflection Spectroscopy of Lanthanides and Actinides Using a High Harmonic Generation Light Source. The journal of physical chemistry letters 15 (25) (2024)
Royle Perez-Castillo, Victor Manuel Freixas, Shaul Mukamel, Aliezer Martinez-Mesa, Llinersy Uranga-Piña, Sergei Tretiak, Maxim F Gelin, Sebastian Fernandez-Alberti
Transient-absorption spectroscopy of dendrimers via nonadiabatic excited-state dynamics simulations. Chemical science 15 (33) (2024)
Aaron Forde, Amanda C Evans, Wanyi Nie, Sergei Tretiak, Amanda J Neukirch
Influence of Material Properties on Surface Chemistry Induced Circular Dichroism in Halide Perovskite: Computational Insights. Nano letters 24 (30) (2024)
Shuhao Zhang, Małgorzata Zofia Makoś, Ryan B Jadrich, Elfi Kraka, Kipton Barros, Benjamin T Nebgen, Sergei Tretiak, Oleksandr Isaev, Nicholas Lubbers, Richard A Messerly, Justin S Smith
Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential. Nature chemistry (2024)
Shuhao Zhang, Małgorzata Zofia Makoś, Ryan B Jadrich, Elfi Kraka, Kipton Barros, Benjamin T Nebgen, Sergei Tretiak, Oleksandr Isaev, Nicholas Lubbers, Richard A Messerly, Justin S Smith
Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential. Nature chemistry 16 (5) (2024)
Qiao-Qiao Li, Anqi Huang, Chongfeng Fan, Luo Yan, Sergei Tretiak, Liujiang Zhou
Extending the Charge Carrier Recombination Lifetime by Octahedral Rotations in Ruddlesden-Popper Ba 3 Zr 2 S 7 Perovskites. The journal of physical chemistry letters 15 (28) (2024)
Aaron Forde, Sayan Maity, Victor Manuel Freixas, Sebastian Fernandez-Alberti, Amanda J Neukirch, Ulrich Kleinekathöfer, Sergei Tretiak
Stabilization of Charge-Transfer Excited States in Biological Systems: A Computational Focus on the Special Pair in Photosystem II Reaction Centers. The journal of physical chemistry letters (2024)
Tammie R Nelson, Sebastian Fernandez-Alberti, Sergei Tretiak
Modeling excited-state molecular dynamics beyond the Born-Oppenheimer regime. Nature computational science 2 (11) (2024)
Haoran Qu, Yulun Han, Jacob Fortner, Xiaojian Wu, Svetlana V Kilina, Dmitri S Kilin, Sergei Tretiak, YuHuang Wang
[2 + 2] Cycloaddition Produces Divalent Organic Color-Centers with Reduced Heterogeneity in Single-Walled Carbon Nanotubes. Journal of the American Chemical Society 146 (33) (2024)
Tammie R Nelson, Sebastian Fernandez-Alberti, Sergei Tretiak
Modeling excited-state molecular dynamics beyond the Born-Oppenheimer regime. Nature computational science 2 (11) (2024)
Aaron Forde, Sayan Maity, Victor Manuel Freixas, Sebastian Fernandez-Alberti, Amanda J Neukirch, Ulrich Kleinekathöfer, Sergei Tretiak
Stabilization of Charge-Transfer Excited States in Biological Systems: A Computational Focus on the Special Pair in Photosystem II Reaction Centers. The journal of physical chemistry letters 15 (15) (2024)
Baicheng Zhang, Yonghao Gu, Victor Manuel Freixas, Shichao Sun, Sergei Tretiak, Jun Jiang, Shaul Mukamel
Cavity Manipulation of Attosecond Charge Migration in Conjugated Dendrimers. Journal of the American Chemical Society (2024)
Xinyang Li, Nicholas Lubbers, Sergei Tretiak, Kipton Barros, Yu Zhang
Machine Learning Framework for Modeling Exciton Polaritons in Molecular Materials. Journal of chemical theory and computation (2024)
Tammie R Nelson, Sebastian Fernandez-Alberti, Sergei Tretiak
Modeling excited-state molecular dynamics beyond the Born-Oppenheimer regime. Nature computational science 2 (11) (2024)
Alessandro Loreti, Victor Manuel Freixas, Davide Avagliano, Francesco Segatta, Huajing Song, Sergei Tretiak, Shaul Mukamel, Marco Garavelli, Niranjan Govind, Artur Nenov
WFOT: A Wave Function Overlap Tool between Single- and Multi-Reference Electronic Structure Methods for Spectroscopy Simulation. Journal of chemical theory and computation (2024)
Shuhao Zhang, Małgorzata Zofia Makoś, Ryan B Jadrich, Elfi Kraka, Kipton Barros, Benjamin T Nebgen, Sergei Tretiak, Oleksandr Isaev, Nicholas Lubbers, Richard A Messerly, Justin S Smith
Exploring the frontiers of condensed-phase chemistry with a general reactive machine learning potential. Nature chemistry 16 (5) (2024)
Nicolas Oldani, Victor Manuel Freixas, Dianelys Ondarse-Alvarez, Sahar Sharifzadeh, Tammie R Gibson, Sergei Tretiak, Sebastian Fernandez-Alberti
Electronic Couplings versus Thermal Fluctuations in the Internal Conversion of Perylene Diimides: The Battle to Localize the Exciton. Journal of chemical theory and computation 20 (14) (2024)
Patrick J Skrodzki, Maksim Y Livshits, Prashant Padmanabhan, Samuel M Greer, Taylor Buckway, Francesca Elverson, Cassandra Gates, Jacob Ward, Pinku Roy, Aiping Chen, Richard L Sandberg, Sergei Tretiak, Matthew Carpenter, Benjamin W Stein, Pamela Bowlan
Extreme Ultraviolet Reflection Spectroscopy of Lanthanides and Actinides Using a High Harmonic Generation Light Source. The journal of physical chemistry letters (2024)
Sakib Matin, Alice E A Allen, Justin Smith, Nicholas Lubbers, Ryan B Jadrich, Richard Messerly, Benjamin Nebgen, Ying Wai Li, Sergei Tretiak, Kipton Barros
Machine Learning Potentials with the Iterative Boltzmann Inversion: Training to Experiment. Journal of chemical theory and computation (2024)
Sakib Matin, Alice E A Allen, Justin Smith, Nicholas Lubbers, Ryan B Jadrich, Richard Messerly, Benjamin Nebgen, Ying Wai Li, Sergei Tretiak, Kipton Barros
Machine Learning Potentials with the Iterative Boltzmann Inversion: Training to Experiment. Journal of chemical theory and computation 20 (3) (2024)
Alessandro Loreti, Victor Manuel Freixas, Davide Avagliano, Francesco Segatta, Huajing Song, Sergei Tretiak, Shaul Mukamel, Marco Garavelli, Niranjan Govind, Artur Nenov
WFOT: A Wave Function Overlap Tool between Single- and Multi-Reference Electronic Structure Methods for Spectroscopy Simulation. Journal of chemical theory and computation 20 (11) (2024)
Aaron Forde, Amanda C Evans, Wanyi Nie, Sergei Tretiak, Amanda J Neukirch
Influence of Material Properties on Surface Chemistry Induced Circular Dichroism in Halide Perovskite: Computational Insights. Nano letters (2024)
Xinyang Li, Nicholas Lubbers, Sergei Tretiak, Kipton Barros, Yu Zhang
Machine Learning Framework for Modeling Exciton Polaritons in Molecular Materials. Journal of chemical theory and computation 20 (2) (2024)
Carlos L Bassani, Greg van Anders, Uri Banin, Dmitry Baranov, Qian Chen, Marjolein Dijkstra, Michael S Dimitriyev, Efi Efrati, Jordi Faraudo, Oleg Gang, Nicola Gaston, Ramin Golestanian, Guillermo Iván Guerrero-García, Michael Gruenwald, Amir Haji-Akbari, Maria Ibáñez, Matthias Karg, Tobias Kraus, Byeongdu Lee, Reid C Van Lehn, Robert J Macfarlane, Bortolo Matteo Mognetti, Arash Nikoubashman, Saeed Osat, Oleg V Prezhdo, Grant M Rotskoff, Leonor Saiz, An-Chang Shi, Sara E Skrabalak, Ivan I Smalyukh, Mario Tagliazucchi, Dmitri V Talapin, Alexei V Tkachenko, Sergei Tretiak, David Vaknin, Asaph Widmer-Cooper, Gerard C L Wong, Xingchen Ye, Shan Zhou, Eran Rabani, Michael Engel, Alex Travesset
Nanocrystal Assemblies: Current Advances and Open Problems. ACS nano (2024)
Xiaoyan Wu, Tammo van der Heide, Shizheng Wen, Thomas Frauenheim, Sergei Tretiak, ChiYung Yam, Yu Zhang
Molecular dynamics study of plasmon-mediated chemical transformations. Chemical science 14 (18) (2023)
Philipp Schleich, Joseph Boen, Lukasz Cincio, Abhinav Anand, Jakob S Kottmann, Sergei Tretiak, Pavel A Dub, Alán Aspuru-Guzik
Partitioning Quantum Chemistry Simulations with Clifford Circuits. Journal of chemical theory and computation (2023)
Hsinhan Tsai, Dibyajyoti Ghosh, Eli Kinigstein, Bogdan Dryzhakov, Honora Driscoll, Magdalena Owczarek, Bin Hu, Xiaoyi Zhang, Sergei Tretiak, Wanyi Nie
Light-Induced Structural Dynamics and Charge Transport in Layered Halide Perovskite Thin Films. Nano letters 23 (2) (2023)
Maksim Kulichenko, Kipton Barros, Nicholas Lubbers, Ying Wai Li, Richard Messerly, Sergei Tretiak, Justin S Smith, Benjamin T Nebgen
Uncertainty-driven dynamics for active learning of interatomic potentials. Nature computational science 3 (3) (2023)
Nikolay V Tkachenko, Anastasiia A Tkachenko, Benjamin T Nebgen, Sergei Tretiak, Alexander I Boldyrev
Neural network atomistic potentials for global energy minima search in carbon clusters. Physical chemistry chemical physics : PCCP (2023)
Xiaoyan Wu, Tammo van der Heide, Shizheng Wen, Thomas Frauenheim, Sergei Tretiak, ChiYung Yam, Yu Zhang
Molecular dynamics study of plasmon-mediated chemical transformations. Chemical science 14 (18) (2023)
Braden M Weight, Ming Zheng, Sergei Tretiak
Signatures of Chemical Dopants in Simulated Resonance Raman Spectroscopy of Carbon Nanotubes. The journal of physical chemistry letters (2023)
Yeonsig Nam, Huajing Song, Victor Manuel Freixas, Daniel Keefer, Sebastian Fernandez-Alberti, Jin Yong Lee, Marco Garavelli, Sergei Tretiak, Shaul Mukamel
Monitoring vibronic coherences and molecular aromaticity in photoexcited cyclooctatetraene with an X-ray probe: a simulation study. Chemical science 14 (11) (2023)
Braden M Weight, Ming Zheng, Sergei Tretiak
Signatures of Chemical Dopants in Simulated Resonance Raman Spectroscopy of Carbon Nanotubes. The journal of physical chemistry letters 14 (5) (2023)
Maksim Kulichenko, Kipton Barros, Nicholas Lubbers, Ying Wai Li, Richard Messerly, Sergei Tretiak, Justin S Smith, Benjamin T Nebgen
Uncertainty-driven dynamics for active learning of interatomic potentials. Nature computational science 3 (3) (2023)
Ayush Asthana, Ashutosh Kumar, Vibin Abraham, Harper Grimsley, Yu Zhang, Lukasz Cincio, Sergei Tretiak, Pavel A Dub, Sophia E Economou, Edwin Barnes, Nicholas J Mayhall
Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer. Chemical science 14 (9) (2023)
Hassiel Negrin-Yuvero, Victor Manuel Freixas, Dianelys Ondarse-Alvarez, Laura Alfonso-Hernandez, German Rojas-Lorenzo, Adolfo Bastida, Sergei Tretiak, Sebastian Fernandez-Alberti
Vibrational Funnels for Energy Transfer in Organic Chromophores. The journal of physical chemistry letters (2023)
Manav Bhati, Sergei A Ivanov, Thomas P Senftle, Sergei Tretiak, Dibyajyoti Ghosh
How structural and vibrational features affect optoelectronic properties of non-stoichiometric quantum dots: computational insights. Nanoscale (2023)
Sarika Singh, Pabitra Kumar Nayak, Sergei Tretiak, Dibyajyoti Ghosh
Composition Dependent Strain Engineering of Lead-Free Halide Double Perovskite: Computational Insights. The journal of physical chemistry letters (2023)
Adela Habib, Nicholas Lubbers, Sergei Tretiak, Benjamin Nebgen
Machine Learning Models Capture Plasmon Dynamics in Ag Nanoparticles. The journal of physical chemistry. A (2023)
Ashutosh Kumar, Ayush Asthana, Vibin Abraham, T Daniel Crawford, Nicholas J Mayhall, Yu Zhang, Lukasz Cincio, Sergei Tretiak, Pavel A Dub
Quantum Simulation of Molecular Response Properties in the NISQ Era. Journal of chemical theory and computation (2023)
Maksim Kulichenko, Kipton Barros, Nicholas Lubbers, Ying Wai Li, Richard Messerly, Sergei Tretiak, Justin S Smith, Benjamin T Nebgen
Uncertainty-driven dynamics for active learning of interatomic potentials. Nature computational science 3 (3) (2023)
Braden M Weight, Ming Zheng, Sergei Tretiak
Signatures of Chemical Dopants in Simulated Resonance Raman Spectroscopy of Carbon Nanotubes. The journal of physical chemistry letters 14 (5) (2023)
Victor Manuel Freixas, Jérémy R Rouxel, Yeonsig Nam, Sergei Tretiak, Niranjan Govind, Shaul Mukamel
X-ray and Optical Circular Dichroism as Local and Global Ultrafast Chiral Probes of [12]Helicene Racemization. Journal of the American Chemical Society (2023)
Maksim Kulichenko, Kipton Barros, Nicholas Lubbers, Ying Wai Li, Richard Messerly, Sergei Tretiak, Justin S Smith, Benjamin T Nebgen
Uncertainty-driven dynamics for active learning of interatomic potentials. Nature computational science 3 (3) (2023)
Maksim Kulichenko, Kipton Barros, Nicholas Lubbers, Nikita Fedik, Guoqing Zhou, Sergei Tretiak, Benjamin Nebgen, Anders M N Niklasson
Semi-Empirical Shadow Molecular Dynamics: A PyTorch Implementation. Journal of chemical theory and computation (2023)
Ayush Asthana, Ashutosh Kumar, Vibin Abraham, Harper Grimsley, Yu Zhang, Lukasz Cincio, Sergei Tretiak, Pavel A Dub, Sophia E Economou, Edwin Barnes, Nicholas J Mayhall
Quantum self-consistent equation-of-motion method for computing molecular excitation energies, ionization potentials, and electron affinities on a quantum computer. Chemical science 14 (9) (2023)
Braden M Weight, Andrew E Sifain, Brendan J Gifford, Han Htoon, Sergei Tretiak
On-the-Fly Nonadiabatic Dynamics Simulations of Single-Walled Carbon Nanotubes with Covalent Defects. ACS nano (2023)
Daniel Timmer, Moritz Gittinger, Thomas Quenzel, Sven Stephan, Yu Zhang, Marvin F Schumacher, Arne Lützen, Martin Silies, Sergei Tretiak, Jin-Hui Zhong, Antonietta De Sio, Christoph Lienau
Plasmon mediated coherent population oscillations in molecular aggregates. Nature communications 14 (1) (2023)
Victor Manuel Freixas, Walter Malone, Xinyang Li, Huajing Song, Hassiel Negrin-Yuvero, Royle Pérez-Castillo, Alexander White, Tammie R Gibson, Dmitry V Makhov, Dmitrii V Shalashilin, Yu Zhang, Nikita Fedik, Maksim Kulichenko, Richard Messerly, Luke Nambi Mohanam, Sahar Sharifzadeh, Adolfo Bastida, Shaul Mukamel, Sebastian Fernandez-Alberti, Sergei Tretiak
NEXMD v2.0 Software Package for Nonadiabatic Excited State Molecular Dynamics Simulations. Journal of chemical theory and computation (2023)
Aaron Forde, Sergei Tretiak, Amanda J Neukirch
Dielectric Screening and Charge-Transfer in 2D Lead-Halide Perovskites for Reduced Exciton Binding Energies. Nano letters (2023)
Andriy Zhugayevych, Wenbo Sun, Tammo van der Heide, Carlos R Lien-Medrano, Thomas Frauenheim, Sergei Tretiak
Benchmark Data Set of Crystalline Organic Semiconductors. Journal of chemical theory and computation (2023)
Daniel Mejía-Rodríguez, Edoardo Apra, Jochen Autschbach, Nicholas P Bauman, Eric J Bylaska, Niranjan Govind, Jeff R Hammond, Karol Kowalski, Alexander Kunitsa, Ajay Panyala, Bo Peng, John J Rehr, Huajing Song, Sergei Tretiak, Marat Valiev, Fernando D Vila
NWChem: Recent and Ongoing Developments. Journal of chemical theory and computation (2023)
Braden M Weight, Ming Zheng, Sergei Tretiak
Signatures of Chemical Dopants in Simulated Resonance Raman Spectroscopy of Carbon Nanotubes. The journal of physical chemistry letters 14 (5) (2023)
Victor Manuel Freixas, Nicolas Oldani, Sergei Tretiak, Sebastian Fernandez-Alberti
Twisting Aromaticity and Photoinduced Dynamics in Hexapole Helicenes. The journal of physical chemistry letters (2023)
Yeonsig Nam, Huajing Song, Victor Manuel Freixas, Daniel Keefer, Sebastian Fernandez-Alberti, Jin Yong Lee, Marco Garavelli, Sergei Tretiak, Shaul Mukamel
Monitoring vibronic coherences and molecular aromaticity in photoexcited cyclooctatetraene with an X-ray probe: a simulation study. Chemical science 14 (11) (2023)
Gabriel S Phun, Dmitrij Rappoport, Filipp Furche, Tammie R Gibson, Sergei Tretiak
Constructing the Mechanism of Dinoflagellate Luciferin Bioluminescence Using Computation. The journal of physical chemistry letters (2023)
Hsinhan Tsai, Dibyajyoti Ghosh, Eli Kinigstein, Bogdan Dryzhakov, Honora Driscoll, Magdalena Owczarek, Bin Hu, Xiaoyi Zhang, Sergei Tretiak, Wanyi Nie
Light-Induced Structural Dynamics and Charge Transport in Layered Halide Perovskite Thin Films. Nano letters (2023)
Yu Zheng, Yulun Han, Braden M Weight, Zhiwei Lin, Brendan J Gifford, Ming Zheng, Dmitri S Kilin, Svetlana Kilina, Stephen K Doorn, Han Htoon, Sergei Tretiak
Photochemical spin-state control of binding configuration for tailoring organic color center emission in carbon nanotubes. Nature communications 13 (1) (2022)
Thomas Quenzel, Daniel Timmer, Moritz Gittinger, Jennifer Zablocki, Fulu Zheng, Manuela Schiek, Arne Lützen, Thomas Frauenheim, Sergei Tretiak, Martin Silies, Jin-Hui Zhong, Antonietta De Sio, Christoph Lienau
Plasmon-Enhanced Exciton Delocalization in Squaraine-Type Molecular Aggregates. ACS nano 16 (3) (2022)
Daniel Timmer, Fulu Zheng, Moritz Gittinger, Thomas Quenzel, Daniel C Lünemann, Katrin Winte, Yu Zhang, Mohamed E Madjet, Jennifer Zablocki, Arne Lützen, Jin-Hui Zhong, Antonietta De Sio, Thomas Frauenheim, Sergei Tretiak, Christoph Lienau
Charge Delocalization and Vibronic Couplings in Quadrupolar Squaraine Dyes. Journal of the American Chemical Society 144 (41) (2022)
Christian F A Negre, Alejandro Lopez-Bezanilla, Yu Zhang, Prosper D Akrobotu, Susan M Mniszewski, Sergei Tretiak, Pavel A Dub
Toward a QUBO-Based Density Matrix Electronic Structure Method. Journal of chemical theory and computation 18 (7) (2022)
Nikita Fedik, Roman Zubatyuk, Maksim Kulichenko, Nicholas Lubbers, Justin S Smith, Benjamin T Nebgen, Richard A Messerly, Ying Wai Li, Alexander I Boldyrev, Kipton Barros, Oleksandr Isaev, Sergei Tretiak
Extending machine learning beyond interatomic potentials for predicting molecular properties. Nature reviews. Chemistry 6 (9) (2022)
Ashutosh Kumar, Ayush Asthana, Conner Masteran, Edward F Valeev, Yu Zhang, Lukasz Cincio, Sergei Tretiak, Pavel A Dub
Quantum Simulation of Molecular Electronic States with a Transcorrelated Hamiltonian: Higher Accuracy with Fewer Qubits. Journal of chemical theory and computation 18 (9) (2022)
Hassiel Negrin-Yuvero, Aliya Mukazhanova, Victor Manuel Freixas, Sergei Tretiak, Sahar Sharifzadeh, Sebastian Fernandez-Alberti
Vibronic Photoexcitation Dynamics of Perylene Diimide: Computational Insights. The journal of physical chemistry. A 126 (5) (2022)
Nikita Fedik, Roman Zubatyuk, Maksim Kulichenko, Nicholas Lubbers, Justin S Smith, Benjamin T Nebgen, Richard A Messerly, Ying Wai Li, Alexander I Boldyrev, Kipton Barros, Oleksandr Isaev, Sergei Tretiak
Extending machine learning beyond interatomic potentials for predicting molecular properties. Nature reviews. Chemistry 6 (9) (2022)
Dustin A Tracy, Sebastian Fernandez-Alberti, Sergei Tretiak, Adrian E Roitberg
Adiabatic Excited-State Molecular Dynamics with an Explicit Solvent: NEXMD-SANDER Implementation. Journal of chemical theory and computation 18 (9) (2022)
Qiao-Qiao Li, Luo Yan, WeiBin Chu, Junjie He, Huanbo Luo, Thomas Frauenheim, Sergei Tretiak, Liujiang Zhou
Control of Polaronic Behavior and Carrier Lifetimes via Metal and Anion Alloying in Chalcogenide Perovskites. The journal of physical chemistry letters 13 (22) (2022)
Aaron Forde, Victor Manuel Freixas, Sebastian Fernandez-Alberti, Amanda J Neukirch, Sergei Tretiak
Charge-Transfer Luminescence in a Molecular Donor-Acceptor Complex: Computational Insights. The journal of physical chemistry letters 13 (37) (2022)
Victor Manuel Freixas, Daniel Keefer, Sergei Tretiak, Sebastian Fernandez-Alberti, Shaul Mukamel
Ultrafast coherent photoexcited dynamics in a trimeric dendrimer probed by X-ray stimulated-Raman signals. Chemical science 13 (21) (2022)
Guoqing Zhou, Nicholas Lubbers, Kipton Barros, Sergei Tretiak, Benjamin Nebgen
Deep learning of dynamically responsive chemical Hamiltonians with semiempirical quantum mechanics. Proceedings of the National Academy of Sciences of the United States of America 119 (27) (2022)
Laura Alfonso Hernandez, Victor Manuel Freixas, Beatriz Rodriguez-Hernandez, Sergei Tretiak, Sebastian Fernandez-Alberti, Nicolas Oldani
Exciton-vibrational dynamics induces efficient self-trapping in a substituted nanoring. Physical chemistry chemical physics : PCCP 24 (39) (2022)
Xiaoyan Wu, Baopi Liu, Thomas Frauenheim, Sergei Tretiak, Chi-Yung Yam, Yu Zhang
Investigation of plasmon relaxation mechanisms using nonadiabatic molecular dynamics. The Journal of chemical physics 157 (21) (2022)
Luo Yan, Jiaojiao Zhu, Bao-Tian Wang, Junjie He, Hai-Zhi Song, Weibin Chu, Sergei Tretiak, Liujiang Zhou
Two Dimensional MOene: From Superconductors to Direct Semiconductors and Weyl Fermions. Nano letters 22 (13) (2022)
Shahriar N Khan, Braden M Weight, Brendan J Gifford, Sergei Tretiak, Alan Bishop
Impact of Graphene Quantum Dot Edge Morphologies on Their Optical Properties. The journal of physical chemistry letters 13 (25) (2022)
Victor Manuel Freixas, Sergei Tretiak, Sebastian Fernandez-Alberti
Infinitene: Computational Insights from Nonadiabatic Excited State Dynamics. The journal of physical chemistry letters 13 (36) (2022)
Carlos Mora Perez, Dibyajyoti Ghosh, Oleg V Prezhdo, Wanyi Nie, Sergei Tretiak, Amanda J Neukirch
Point Defects in Two-Dimensional Ruddlesden-Popper Perovskites Explored with Ab Initio Calculations. The journal of physical chemistry letters (2022)
Aaron Forde, Dibyajyoti Ghosh, Dmitri S Kilin, Amanda C Evans, Sergei Tretiak, Amanda J Neukirch
Induced Chirality in Halide Perovskite Clusters through Surface Chemistry. The journal of physical chemistry letters 13 (2) (2022)
Maksim Kulichenko, Justin S Smith, Benjamin T Nebgen, Ying Wai Li, Nikita Fedik, Alexander I Boldyrev, Nicholas Lubbers, Kipton Barros, Sergei Tretiak
The Rise of Neural Networks for Materials and Chemical Dynamics. The journal of physical chemistry letters 12 (26) (2021)
Steve Halaby, Michael Martynowycz, Ziyue Zhu, Sergei Tretiak, Andriy Zhugayevych, Tamir Gonen, Martin Seifrid
Microcrystal Electron Diffraction for Molecular Design of Functional Non-Fullerene Acceptor Structures. Chemistry of materials : a publication of the American Chemical Society 33 (3) (2021)
Victor Manuel Freixas, Alexander J White, Tammie R Gibson, Huajing Song, Dmitry V Makhov, Dmitrii V Shalashilin, Sebastian Fernandez-Alberti, Sergei Tretiak
Nonadiabatic Excited-State Molecular Dynamics Methodologies: Comparison and Convergence. The journal of physical chemistry letters 12 (11) (2021)
Steve Halaby, Michael Martynowycz, Ziyue Zhu, Sergei Tretiak, Andriy Zhugayevych, Tamir Gonen, Martin Seifrid
Microcrystal Electron Diffraction for Molecular Design of Functional Non-Fullerene Acceptor Structures. Chemistry of materials : a publication of the American Chemical Society 33 (3) (2021)
Steve Halaby, Michael Martynowycz, Ziyue Zhu, Sergei Tretiak, Andriy Zhugayevych, Tamir Gonen, Martin Seifrid
Microcrystal Electron Diffraction for Molecular Design of Functional Non-Fullerene Acceptor Structures. Chemistry of materials : a publication of the American Chemical Society 33 (3) (2021)
Braden M Weight, Andrew E Sifain, Brendan J Gifford, Dmitri S Kilin, Svetlana V Kilina, Sergei Tretiak
Coupling between Emissive Defects on Carbon Nanotubes: Modeling Insights. The journal of physical chemistry letters 12 (32) (2021)
Sina G Lewis, Dibyajyoti Ghosh, Kevin L Jensen, Daniel Finkenstadt, Andrew Shabaev, Samuel G Lambrakos, Fangze Liu, Wanyi Nie, Jean-Christophe Blancon, Liujiang Zhou, Jared J Crochet, Nathan Moody, Aditya D Mohite, Sergei Tretiak, Amanda J Neukirch
Cesium-Coated Halide Perovskites as a Photocathode Material: Modeling Insights. The journal of physical chemistry letters 12 (27) (2021)
Justin S Smith, Benjamin T Nebgen, Nithin Mathew, Jie Chen, Nicholas Lubbers, Leonid Burakovsky, Sergei Tretiak, Hai Ah Nam, Timothy C Germann, Saryu Fensin, Kipton Barros
Automated discovery of a robust interatomic potential for aluminum. Nature communications 12 (1) (2021)
Daniel Keefer, Victor Manuel Freixas, Huajing Song, Sergei Tretiak, Sebastian Fernandez-Alberti, Shaul Mukamel
Monitoring molecular vibronic coherences in a bichromophoric molecule by ultrafast X-ray spectroscopy. Chemical science 12 (14) (2021)
Huajing Song, Victor Manuel Freixas, Sebastian Fernandez-Alberti, Alexander J White, Yu Zhang, Shaul Mukamel, Niranjan Govind, Sergei Tretiak
An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem. Journal of chemical theory and computation 17 (6) (2021)
L Alfonso-Hernandez, N Oldani, Stavros Athanasopoulos, J M Lupton, Sergei Tretiak, Sebastian Fernandez-Alberti
Photoinduced Energy Transfer in Linear Guest-Host Chromophores: A Computational Study. The journal of physical chemistry. A 125 (24) (2021)
Elizabeth Gutiérrez-Meza, Ravyn Malatesta, Hongmo Li, Ilaria Bargigia, Ajay Ram Srimath Kandada, David A Valverde-Chávez, Seong-Min Kim, Hao Li, Natalie Stingelin, Sergei Tretiak, Eric R Bittner, Carlos Silva-Acuña
Frenkel biexcitons in hybrid HJ photophysical aggregates. Science advances 7 (50) (2021)
Andrew E Sifain, Levi Lystrom, Richard A Messerly, Justin S Smith, Benjamin T Nebgen, Kipton Barros, Sergei Tretiak, Nicholas Lubbers, Brendan J Gifford
Predicting phosphorescence energies and inferring wavefunction localization with machine learning. Chemical science 12 (30) (2021)
Fangze Liu, Siraj Sidhik, Mark A Hoffbauer, Sina Lewis, Amanda J Neukirch, Vitaly Pavlenko, Hsinhan Tsai, Wanyi Nie, Jacky Even, Sergei Tretiak, Pulickel M Ajayan, Mercouri G Kanatzidis, Jared J Crochet, Nathan A Moody, Jean-Christophe Blancon, Aditya D Mohite
Highly efficient photoelectric effect in halide perovskites for regenerative electron sources. Nature communications 12 (1) (2021)
Yu Zheng, Braden M Weight, Andrew C Jones, Vigneshwaran Chandrasekaran, Brendan J Gifford, Sergei Tretiak, Stephen K Doorn, Han Htoon
Photoluminescence Dynamics Defined by Exciton Trapping Potential of Coupled Defect States in DNA-Functionalized Carbon Nanotubes. ACS nano 15 (1) (2021)
Victor Manuel Freixas, Philipp Wilhelm, Tammie R Gibson, Florian Hinderer, Sigurd Höger, Sergei Tretiak, John M Lupton, Sebastian Fernandez-Alberti
Excitation Energy Transfer between bodipy Dyes in a Symmetric Molecular Excitonic Seesaw. The journal of physical chemistry. A 125 (38) (2021)

Sergei Tretiak.css-eqlu8i{font-size:small;padding-left:4px;} (S Tretiak)

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Sergei Tretiak (S Tretiak)