Artiklar med krav på offentlig åtkomst - Sergei TretiakLäs mer
Inte tillgängliga någonstans: 23
Non-adiabatic excited-state molecular dynamics: Theory and applications for modeling photophysics in extended molecular materials
TR Nelson, AJ White, JA Bjorgaard, AE Sifain, Y Zhang, B Nebgen, ...
Chemical reviews 120 (4), 2215-2287, 2020
Krav: US Department of Energy, Government of Argentina
Extending machine learning beyond interatomic potentials for predicting molecular properties
N Fedik, R Zubatyuk, M Kulichenko, N Lubbers, JS Smith, B Nebgen, ...
Nature Reviews Chemistry 6 (9), 653-672, 2022
Krav: US National Science Foundation, US Department of Energy, US Department of …
Structural dynamics and electronic properties of semiconductor quantum dots: computational insights
D Ghosh, SA Ivanov, S Tretiak
Chemistry of Materials 33 (19), 7848-7857, 2021
Krav: US Department of Energy
Addressing the voltage induced instability problem of perovskite semiconductor detectors
H Tsai, D Ghosh, W Panaccione, LY Su, CH Hou, L Wang, LR Cao, ...
ACS Energy Letters 7 (11), 3871-3879, 2022
Krav: US Department of Energy, US Department of Defense
Two dimensional MOene: From superconductors to direct semiconductors and Weyl fermions
L Yan, J Zhu, BT Wang, J He, HZ Song, W Chu, S Tretiak, L Zhou
Nano Letters 22 (13), 5592-5599, 2022
Krav: National Natural Science Foundation of China
Induced chirality in halide perovskite clusters through surface chemistry
A Forde, D Ghosh, D Kilin, AC Evans, S Tretiak, AJ Neukirch
The Journal of Physical Chemistry Letters 13 (2), 686-693, 2022
Krav: US Department of Energy
Infinitene: Computational insights from nonadiabatic excited state dynamics
VM Freixas, S Tretiak, S Fernandez-Alberti
The Journal of Physical Chemistry Letters 13 (36), 8495-8501, 2022
Krav: US Department of Energy, Government of Argentina
Control of polaronic behavior and carrier lifetimes via metal and anion alloying in chalcogenide perovskites
Q Li, L Yan, W Chu, J He, H Luo, T Frauenheim, S Tretiak, L Zhou
The Journal of Physical Chemistry Letters 13 (22), 4955-4962, 2022
Krav: US Department of Energy
Photoexcited energy relaxation in a zigzag carbon nanobelt
H Negrin-Yuvero, VM Freixas, D Ondarse-Alvarez, AE Ledesma, S Tretiak, ...
The Journal of Physical Chemistry C 127 (11), 5449-5456, 2023
Krav: US Department of Energy, Government of Argentina
Composition Dependent Strain Engineering of Lead-Free Halide Double Perovskite: Computational Insights
S Singh, PK Nayak, S Tretiak, D Ghosh
The Journal of Physical Chemistry Letters 14 (42), 9479-9489, 2023
Krav: US Department of Energy, Council of Scientific and Industrial Research …
Twisting Aromaticity and Photoinduced Dynamics in Hexapole Helicenes
VM Freixas, N Oldani, S Tretiak, S Fernandez-Alberti
The Journal of Physical Chemistry Letters 14 (45), 10145-10150, 2023
Krav: US Department of Energy, Government of Argentina
Modeling excited-state molecular dynamics beyond the Born–Oppenheimer regime
TR Nelson, S Fernandez-Alberti, S Tretiak
Nature Computational Science 2 (11), 689-692, 2022
Krav: US Department of Energy, Government of Argentina
Adiabatic excited-state molecular dynamics with an explicit solvent: NEXMD-SANDER implementation
DA Tracy, S Fernandez-Alberti, S Tretiak, AE Roitberg
Journal of Chemical Theory and Computation 18 (9), 5213-5220, 2022
Krav: US Department of Energy, Government of Argentina
Excitation Energy Transfer between bodipy Dyes in a Symmetric Molecular Excitonic Seesaw
VM Freixas, P Wilhelm, T Nelson, F Hinderer, S Höger, S Tretiak, ...
The Journal of Physical Chemistry A 125 (38), 8404-8416, 2021
Krav: US Department of Energy, German Research Foundation, Government of Argentina
Vibrational funnels for energy transfer in organic chromophores
H Negrin-Yuvero, VM Freixas, D Ondarse-Alvarez, L Alfonso-Hernandez, ...
The Journal of Physical Chemistry Letters 14 (20), 4673-4681, 2023
Krav: US Department of Energy, Government of Argentina
Ligand Controls Excited Charge Carrier Dynamics in Metal-Rich CdSe Quantum Dots: Computational Insights
K Samanta, P Deswal, S Alam, M Bhati, SA Ivanov, S Tretiak, D Ghosh
ACS nano 18 (36), 24941-24952, 2024
Krav: Council of Scientific and Industrial Research, India, Department of Science …
Stabilization of Charge-Transfer Excited States in Biological Systems: A Computational Focus on the Special Pair in Photosystem II Reaction Centers
A Forde, S Maity, VM Freixas, S Fernandez-Alberti, AJ Neukirch, ...
The Journal of Physical Chemistry Letters 15 (15), 4142-4150, 2024
Krav: Government of Argentina
Factors Impacting Dihedral Angle Rotation and Classification in π-Conjugated Systems
R Duke, V Bhat, A Smith, S Goodlett, S Tretiak, C Risko
Macromolecules 56 (14), 5259-5267, 2023
Krav: US National Science Foundation, US Department of Energy, US Department of …
Back-and-Forth Energy Transfer during Electronic Relaxation in a Chlorin–Perylene Dyad
JF Galindo, VM Freixas, S Tretiak, S Fernandez-Alberti
The Journal of Physical Chemistry Letters 12 (42), 10394-10401, 2021
Krav: US Department of Energy, Government of Argentina
Sympathetic Mechanism for Vibrational Condensation Enabled by Polariton Optomechanical Interaction
VY Shishkov, ES Andrianov, S Tretiak, KB Whaley, AV Zasedatelev
Physical review letters 133 (18), 186903, 2024
Krav: European Commission
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