Guardado en:
| Autores principales: | Gruber, Elisabeth, Andersen, Lars H., Stanley, Laurence H., Verlet, Jan R. R., Avdonin, Ivan S., Bochenkova, Anastasia V. |
|---|---|
| Formato: | Preprint |
| Publicado: |
2025
|
| Materias: | |
| Acceso en línea: | https://arxiv.org/abs/2512.09637 |
| Etiquetas: |
Agregar Etiqueta
Sin Etiquetas, Sea el primero en etiquetar este registro!
|
Ejemplares similares
Machine Learning Photodynamics Unveils a Controlled H$_2$ Loss Channel in Methaniminium Cation
por: Chistikov, Daniil N., et al.
Publicado: (2025)
por: Chistikov, Daniil N., et al.
Publicado: (2025)
XMCQDPT2-Fidelity Transfer-Learning Potentials and a Wavepacket Oscillation Model with Power-Law Decay for Ultrafast Photodynamics
por: Dudakov, Ivan V., et al.
Publicado: (2025)
por: Dudakov, Ivan V., et al.
Publicado: (2025)
Tetracyano‐Bridged Chromophores: Efficient Nonfullerene Acceptors for Solar Cells
por: Yuvraj Patil
Publicado: (2025)
por: Yuvraj Patil
Publicado: (2025)
Trap Mediated Energy Transport via Vibronic Resonance
por: Patra, Sanjoy, et al.
Publicado: (2020)
por: Patra, Sanjoy, et al.
Publicado: (2020)
Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/$GW$ and Wave Function Methods
por: Knysh, Iryna, et al.
Publicado: (2024)
por: Knysh, Iryna, et al.
Publicado: (2024)
Ion Trap Geometry
por: Krylov, Evgeny V
Publicado: (2025)
por: Krylov, Evgeny V
Publicado: (2025)
Empowering Green Energy Storage Systems with MXene for a Sustainable Future
por: MA Zaed, et al.
Publicado: (2024)
por: MA Zaed, et al.
Publicado: (2024)
Benchmark Computations of Nearly Degenerate Singlet and Triplet states of N-heterocyclic Chromophores : I. Wavefunction-based Methods
por: Chanda, Shamik, et al.
Publicado: (2023)
por: Chanda, Shamik, et al.
Publicado: (2023)
Hydrogen Trapping and Embrittlement in Metals -- A Review
por: Chen, Y. -S., et al.
Publicado: (2024)
por: Chen, Y. -S., et al.
Publicado: (2024)
High-pressure Ion Trap
por: Krylov, Evgeny V.
Publicado: (2025)
por: Krylov, Evgeny V.
Publicado: (2025)
Effective core potentials as a pathway to self-interaction error correction: a proof-of-concept study on one-electron systems
por: Lonsdale, Dale R., et al.
Publicado: (2024)
por: Lonsdale, Dale R., et al.
Publicado: (2024)
Revisiting the thermochemistry of chlorine fluorides
por: Sánchez, H. R.
Publicado: (2016)
por: Sánchez, H. R.
Publicado: (2016)
State Selective Preparation and Nondestructive Detection of Trapped ${\rm O}_2^+$
por: Singh, Ambesh Pratik, et al.
Publicado: (2024)
por: Singh, Ambesh Pratik, et al.
Publicado: (2024)
Experimental Evidence of Direct Exchange Interaction Mediating Intramolecular Singlet Fission in Weakly-Coupled Dimers
por: Kefer, Oskar, et al.
Publicado: (2024)
por: Kefer, Oskar, et al.
Publicado: (2024)
Musical Molecules: Sonifying the IR Spectra and Modeling Intramolecular Vibrational Energy Redistribution of Small Molecules
por: Kim, Sophia H., et al.
Publicado: (2026)
por: Kim, Sophia H., et al.
Publicado: (2026)
Electron-Electron and Electron-Phonon Interactions in the Dynamics of Trap-Filling in Charged Quantum Dots
por: Monreal, R. Carmina
Publicado: (2024)
por: Monreal, R. Carmina
Publicado: (2024)
AI-enhanced High Resolution Functional Imaging Reveals Trap States and Charge Carrier Recombination Pathways in Perovskite
por: Shi, Qi, et al.
Publicado: (2025)
por: Shi, Qi, et al.
Publicado: (2025)
Locating Ab Initio Transition States via Approximate Geodesics on Machine Learned Potential Energy Surfaces
por: Hait, Diptarka, et al.
Publicado: (2025)
por: Hait, Diptarka, et al.
Publicado: (2025)
Potential Energy Curves of Hydrogenic Halides HX(F,Cl,Br) and i-DMFT Method
por: Pilon, H Olivares, et al.
Publicado: (2026)
por: Pilon, H Olivares, et al.
Publicado: (2026)
Triplet-Pair Character of the $2^1A_g$ Dark State of Polyenes
por: Ichert, Alexandru G., et al.
Publicado: (2026)
por: Ichert, Alexandru G., et al.
Publicado: (2026)
Pooling Solvent Mixtures for Solvation Free Energy Predictions
por: Leenhouts, Roel J., et al.
Publicado: (2024)
por: Leenhouts, Roel J., et al.
Publicado: (2024)
Catalysts for Liquid Organic Hydrogen Carriers (LOHCs): Efficient Storage and Transport for Renewable Energy
por: Huda S. Alghamdi, et al.
Publicado: (2024)
por: Huda S. Alghamdi, et al.
Publicado: (2024)
MC-PDFT Nuclear Gradients and L-PDFT Energies with Meta and Hybrid Meta On-Top Functionals for Ground- and Excited-State Geometry Optimization and Vertical Excitation Energies
por: Hennefarth, Matthew R., et al.
Publicado: (2025)
por: Hennefarth, Matthew R., et al.
Publicado: (2025)
High-Spin State Dynamics and Quintet-Mediated Emission in Intramolecular Singlet Fission
por: Grüne, Jeannine, et al.
Publicado: (2024)
por: Grüne, Jeannine, et al.
Publicado: (2024)
The Role of Dark States on Azopyrrole Photoisomerization Reaction by Varying the Coupling Strength of Light-Matter Interaction
por: Garg, Pallavi, et al.
Publicado: (2025)
por: Garg, Pallavi, et al.
Publicado: (2025)
Benchmark Computations of Nearly Degenerate Singlet and Triplet states of N-heterocyclic Chromophores : II. Density-based Methods
por: Chanda, Shamik, et al.
Publicado: (2024)
por: Chanda, Shamik, et al.
Publicado: (2024)
How accurate are foundational machine learning interatomic potentials for heterogeneous catalysis?
por: Kempen, Luuk H. E., et al.
Publicado: (2025)
por: Kempen, Luuk H. E., et al.
Publicado: (2025)
Enhancing Electrochemical Efficiency of Solid Oxide Electrolysis Cells for Carbon Dioxide Reduction Through Nickel‐Doped Titanate‐Based Cathode with Doped Ceria Electrolyte
por: Shivika Sharma, et al.
Publicado: (2024)
por: Shivika Sharma, et al.
Publicado: (2024)
Breaking scaling relations with inverse catalysts: a machine learning exploration of trends in $\mathrm{CO_2}$ hydrogenation energy barriers
por: Kempen, Luuk H. E., et al.
Publicado: (2025)
por: Kempen, Luuk H. E., et al.
Publicado: (2025)
Neural Network Assisted Fermionic Compression Encoding: A Lossy-QSCI Framework for Resource-Efficient Ground-State Simulations
por: Chen, Yu-cheng, et al.
Publicado: (2025)
por: Chen, Yu-cheng, et al.
Publicado: (2025)
Offset-Free Robust Nonlinear Control Using Data-Driven Model: A Nonlinear Multi-Model Computationally Efficient Approach
por: Rebello, Carine Menezes, et al.
Publicado: (2025)
por: Rebello, Carine Menezes, et al.
Publicado: (2025)
A Simple and Efficient Equivariant Message Passing Neural Network Model for Non-Local Potential Energy Surface
por: Wu, Yibin, et al.
Publicado: (2024)
por: Wu, Yibin, et al.
Publicado: (2024)
Orbital Energies Are Chemical Potentials in Ground-State Density Functional Theory and Excited-State $Δ$SCF Theory
por: Yang, Weitao, et al.
Publicado: (2024)
por: Yang, Weitao, et al.
Publicado: (2024)
Efficient Spin-Adapted Implementation of Multireference Algebraic Diagrammatic Construction Theory. I. Core-Ionized States and X-Ray Photoelectron Spectra
por: de Moura, Carlos E. V., et al.
Publicado: (2024)
por: de Moura, Carlos E. V., et al.
Publicado: (2024)
Quantum-Classical Auxiliary Field Quantum Monte Carlo with Matchgate Shadows on Trapped Ion Quantum Computers
por: Zhao, Luning, et al.
Publicado: (2025)
por: Zhao, Luning, et al.
Publicado: (2025)
Exploiting a Shortcoming of Coupled-Cluster Theory: The Extent of non-Hermiticity as a Diagnostic Indicator of Computational Accuracy
por: Weflen, Kaila E., et al.
Publicado: (2025)
por: Weflen, Kaila E., et al.
Publicado: (2025)
A ten-year historical analysis of urban PM10 and exceedance filters along the Northern Wasatch Front, UT, USA
por: Flowerday, Callum E., et al.
Publicado: (2025)
por: Flowerday, Callum E., et al.
Publicado: (2025)
Contribution to the phytochemical study and biological activity of plants of Cuban flora
por: Nogueiras, C., et al.
Publicado: (2010)
por: Nogueiras, C., et al.
Publicado: (2010)
ExROPPP: Fast, Accurate and Spin-Pure Calculation of the Electronically Excited States of Organic Hydrocarbon Radicals
por: Green, James D., et al.
Publicado: (2023)
por: Green, James D., et al.
Publicado: (2023)
Interplay between Static and Dynamic Disorder: Contrasting Effects on Dark State Population inside a Cavity
por: Catuto, Robert F., et al.
Publicado: (2025)
por: Catuto, Robert F., et al.
Publicado: (2025)
Ejemplares similares
-
Machine Learning Photodynamics Unveils a Controlled H$_2$ Loss Channel in Methaniminium Cation
por: Chistikov, Daniil N., et al.
Publicado: (2025) -
XMCQDPT2-Fidelity Transfer-Learning Potentials and a Wavepacket Oscillation Model with Power-Law Decay for Ultrafast Photodynamics
por: Dudakov, Ivan V., et al.
Publicado: (2025) -
Tetracyano‐Bridged Chromophores: Efficient Nonfullerene Acceptors for Solar Cells
por: Yuvraj Patil
Publicado: (2025) -
Trap Mediated Energy Transport via Vibronic Resonance
por: Patra, Sanjoy, et al.
Publicado: (2020) -
Reference CC3 Excitation Energies for Organic Chromophores: Benchmarking TD-DFT, BSE/$GW$ and Wave Function Methods
por: Knysh, Iryna, et al.
Publicado: (2024)