A Deep Learning Framework for the Electronic Structure of Water: Towards a Universal Model
Fuente:
arXiv
Saved in:
| Main Authors: | Liang, Xinyuan, Liu, Renxi, Chen, Mohan |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
Electron Impact Fragmentation Dynamics of Carbonyl Sulfide: A Combined Experimental and Theoretical Study
by: Ghosh, Soumya, et al.
Published: (2025)
by: Ghosh, Soumya, et al.
Published: (2025)
All-Electron Molecular Tunnel Ionization Based on the Weak-Field Asymptotic Theory in the Integral Representation
by: Wahyutama, Imam S., et al.
Published: (2024)
by: Wahyutama, Imam S., et al.
Published: (2024)
SCULPT: An Interactive Machine Learning Platform for Analyzing Multi-Particle Coincidence Data from Cold Target Recoil Ion Momentum Spectroscopy
by: Daoud, Hazem, et al.
Published: (2025)
by: Daoud, Hazem, et al.
Published: (2025)
Electronic dynamics created at conical intersections and its dephasing in aqueous solution
by: Chang, Yi-Ping, et al.
Published: (2024)
by: Chang, Yi-Ping, et al.
Published: (2024)
The $a^3Σ^+$ state of KCs revisited: hyperfine structure analysis and potential refinement
by: Krumins, V., et al.
Published: (2022)
by: Krumins, V., et al.
Published: (2022)
Site- and Energy-Selective Low-Energy Electron Emission by X-Rays in Aqueous Phase
by: Bloß, Dana, et al.
Published: (2024)
by: Bloß, Dana, et al.
Published: (2024)
Tracking Microhydration of the NaCl Rocksalt Molecule in Helium Nanodroplets by Penning Ionization Electron Spectroscopy
by: Ltaief, Ltaief Ben, et al.
Published: (2025)
by: Ltaief, Ltaief Ben, et al.
Published: (2025)
Structures and stabilities of mixed clusters of fullerene and coronene molecules
by: Florin, Naemi, et al.
Published: (2024)
by: Florin, Naemi, et al.
Published: (2024)
Hydrogen-atom roaming reactions in water clusters: Unveiling an unusual dimension of water reactivity through first-principles calculations and machine learning
by: Liu, Rui, et al.
Published: (2026)
by: Liu, Rui, et al.
Published: (2026)
Optical cycling in charged complexes with Ra-N bonds
by: Isaev, Timur, et al.
Published: (2023)
by: Isaev, Timur, et al.
Published: (2023)
Ab initio study of electronic states and radiative properties of the AcF molecule
by: Skripnikov, Leonid V., et al.
Published: (2023)
by: Skripnikov, Leonid V., et al.
Published: (2023)
Accurate Determination of Blackbody Radiation Shifts in a Strontium Molecular Lattice Clock
by: Iritani, B., et al.
Published: (2023)
by: Iritani, B., et al.
Published: (2023)
Reaction Pathways of Water Dimer Following Single Ionization
by: Vinklárek, Ivo S., et al.
Published: (2023)
by: Vinklárek, Ivo S., et al.
Published: (2023)
Mapping Transient Structures of Cyclo[18]Carbon by Computational X-Ray Spectra
by: Wei, Minrui, et al.
Published: (2025)
by: Wei, Minrui, et al.
Published: (2025)
A relativistic coupled-cluster treatment of magnetic hyperfine structure of the $X^2Π$ and $A^2Σ^+$ states of OH isotopologues
by: Usov, D. P., et al.
Published: (2025)
by: Usov, D. P., et al.
Published: (2025)
Strong-field effects in the photo-induced dissociation of the hydrogen molecule on a silver nanoshell
by: Koval, Natalia E., et al.
Published: (2024)
by: Koval, Natalia E., et al.
Published: (2024)
Dipole-quadrupole coupling in triplet exciton-polaron quenching in a phosphorescent OLED emission layer
by: van Hoesel, Clint, et al.
Published: (2025)
by: van Hoesel, Clint, et al.
Published: (2025)
Direct three-body atom recombination: halogen atoms
by: Koots, Rian, et al.
Published: (2025)
by: Koots, Rian, et al.
Published: (2025)
Study of low-energy electron-induced dissociation of 1-Propanol
by: Ghosh, Soumya, et al.
Published: (2025)
by: Ghosh, Soumya, et al.
Published: (2025)
Fluorescence and Relaxation Dynamics of Cesium in Argon Matrices: Multiple Trapping Sites and Host-Guest Interactions
by: Lahs, S., et al.
Published: (2026)
by: Lahs, S., et al.
Published: (2026)
A computationally efficient subspace harmonic relaxation algorithm for coarse-graining of molecular systems with nearly exact thermodynamic consistency
by: Pimentel, João V. M., et al.
Published: (2025)
by: Pimentel, João V. M., et al.
Published: (2025)
Towards the "puzzle" of Chromium dimer Cr$_2$: predicting the Born-Oppenheimer rovibrational spectrum
by: Olivares-Pilón, Horacio, et al.
Published: (2024)
by: Olivares-Pilón, Horacio, et al.
Published: (2024)
The Use of Wigner Expansion and Path Integral Method for Quantum Correction of the Low-Order Spectral Moments and Collision-Induced Absorption Profiles
by: Chistikov, Daniil N., et al.
Published: (2025)
by: Chistikov, Daniil N., et al.
Published: (2025)
On the rank-reduced relativistic coupled cluster method
by: Oleynichenko, Alexander V., et al.
Published: (2025)
by: Oleynichenko, Alexander V., et al.
Published: (2025)
Vibronic fine structure in the nitrogen 1s photoelectron spectra from Franck-Condon simulations II: Indoles
by: Wei, Minrui, et al.
Published: (2023)
by: Wei, Minrui, et al.
Published: (2023)
Franck-Condon Simulation of Vibrationally-Resolved X-ray Spectra for Diatomic Systems: Validation of Harmonic Approximation and Density Functional Theory
by: Zhang, Lu, et al.
Published: (2023)
by: Zhang, Lu, et al.
Published: (2023)
Theoretical Prediction of Low-Energy Experimental Photoelectron Spectra of Al$_n$Ni$^{-}$ Clusters (n=1-13)
by: Acioli, Paulo H.
Published: (2024)
by: Acioli, Paulo H.
Published: (2024)
Electronic decay process spectra including nuclear degrees of freedom
by: Riegel, Alexander, et al.
Published: (2021)
by: Riegel, Alexander, et al.
Published: (2021)
Effect of the ${\rm^{15}N(p,α)^{12}C}$ reaction on the kinetic energy release of water molecule fragmentation
by: He, Zhuohang, et al.
Published: (2024)
by: He, Zhuohang, et al.
Published: (2024)
Performance of SCAN density functional for a set of ionic liquid ion pairs
by: Karu, Karl, et al.
Published: (2017)
by: Karu, Karl, et al.
Published: (2017)
Double Ionization to CO2 Produces Molecular Oxygen: A Roaming Mechanism
by: Ma, Qibo, et al.
Published: (2025)
by: Ma, Qibo, et al.
Published: (2025)
The two-positron gluic bond as a manifestation of "super" van der Waals interactions
by: Goli, Mohammad, et al.
Published: (2026)
by: Goli, Mohammad, et al.
Published: (2026)
Time-resolved solvation of alkali ions in superfluid helium nanodroplets: Theoretical simulation of a pump-probe study
by: García-Alfonso, Ernesto, et al.
Published: (2025)
by: García-Alfonso, Ernesto, et al.
Published: (2025)
Correlated Rotational Alignment Spectroscopy: A New Tool for High-Resolution Spectroscopy and the Analysis of Heterogeneous Samples
by: Schultz, Thomas
Published: (2024)
by: Schultz, Thomas
Published: (2024)
Large circular dichroism in the total photoemission yield of free chiral nanoparticles created by a pure electric dipole effect
by: Hartweg, Sebastian, et al.
Published: (2025)
by: Hartweg, Sebastian, et al.
Published: (2025)
First close-coupling study of the excitation of a large cyclic molecule: collision of c-C5H6 with He
by: Demes, Sándor, et al.
Published: (2024)
by: Demes, Sándor, et al.
Published: (2024)
Electron impact partial ionization cross section and thermal rate coefficients of gaseous refrigerants
by: S, Suriyaprasanth, et al.
Published: (2024)
by: S, Suriyaprasanth, et al.
Published: (2024)
Universal Mechanism for Quantitative Understanding of Global Ozone Depletion
by: Lu, Qing-Bin
Published: (2022)
by: Lu, Qing-Bin
Published: (2022)
Specific versus Nonspecific Solvent Interactions of a Biomolecule in Water
by: He, Lanhai, et al.
Published: (2022)
by: He, Lanhai, et al.
Published: (2022)
Differentiating Three-Dimensional Molecular Structures using Laser-induced Coulomb Explosion Imaging
by: Lam, Huynh Van Sa, et al.
Published: (2024)
by: Lam, Huynh Van Sa, et al.
Published: (2024)
Similar Items
-
Electron Impact Fragmentation Dynamics of Carbonyl Sulfide: A Combined Experimental and Theoretical Study
by: Ghosh, Soumya, et al.
Published: (2025) -
All-Electron Molecular Tunnel Ionization Based on the Weak-Field Asymptotic Theory in the Integral Representation
by: Wahyutama, Imam S., et al.
Published: (2024) -
SCULPT: An Interactive Machine Learning Platform for Analyzing Multi-Particle Coincidence Data from Cold Target Recoil Ion Momentum Spectroscopy
by: Daoud, Hazem, et al.
Published: (2025) -
Electronic dynamics created at conical intersections and its dephasing in aqueous solution
by: Chang, Yi-Ping, et al.
Published: (2024) -
The $a^3Σ^+$ state of KCs revisited: hyperfine structure analysis and potential refinement
by: Krumins, V., et al.
Published: (2022)