Saved in:
| Main Authors: | Boziki, Ariadni, Mebenga, Frédéric Ngono, Fernandes, Philippe, Tkatchenko, Alexandre |
|---|---|
| Format: | Preprint |
| Published: |
2024
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2409.06597 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
A Journey With THeSeuSS: Automated Python Tool for Modeling IR and Raman Vibrational Spectra of Molecules and Solids
by: Ariadni Boziki, et al.
Published: (2025)
by: Ariadni Boziki, et al.
Published: (2025)
Vibrational Spectra of Materials and Molecules from Partially-Adiabatic Elevated-Temperature Centroid Molecular Dynamics
by: Castro, Jorge, et al.
Published: (2025)
by: Castro, Jorge, et al.
Published: (2025)
Force-Matching Based Polarizable and Non-Polarizable Force Fields for Perovskite and Non-Perovskite Phases of CsPbI$_3$
by: Vona, C., et al.
Published: (2024)
by: Vona, C., et al.
Published: (2024)
Chiral Vibrational Modes in Small Molecules
by: Feng, Jichen, et al.
Published: (2025)
by: Feng, Jichen, et al.
Published: (2025)
Delta Machine Learning for Predicting Dielectric Properties and Raman Spectra
by: Grumet, Manuel, et al.
Published: (2023)
by: Grumet, Manuel, et al.
Published: (2023)
A Foundation Model for Non-Destructive Defect Identification from Vibrational Spectra
by: Cheng, Mouyang, et al.
Published: (2025)
by: Cheng, Mouyang, et al.
Published: (2025)
Raman Spectra and Excitonic Effects of the novel Ta$_2$Ni$_3$Te$_5$ Monolayer
by: Dias, Alexandre C., et al.
Published: (2024)
by: Dias, Alexandre C., et al.
Published: (2024)
MBD-ML: Many-body dispersion from machine learning for molecules and materials
by: Moerman, Evgeny, et al.
Published: (2026)
by: Moerman, Evgeny, et al.
Published: (2026)
SpectraFormer: an Attention-Based Raman Unmixing Tool for Accessing the Graphene Buffer-Layer Signature on SiC
by: Poteryayev, Dmitriy, et al.
Published: (2026)
by: Poteryayev, Dmitriy, et al.
Published: (2026)
A Bond-Based Machine Learning Model for Molecular Polarizabilities and A Priori Raman Spectra
by: Sowa, Jakub K., et al.
Published: (2024)
by: Sowa, Jakub K., et al.
Published: (2024)
Raman Spectroscopy Insights into the Reorientational Dynamics of Polyanions in Solid Electrolytes
by: Chen, Jianghai, et al.
Published: (2025)
by: Chen, Jianghai, et al.
Published: (2025)
RamanSPy: An open-source Python package for integrative Raman spectroscopy data analysis
by: Georgiev, Dimitar, et al.
Published: (2023)
by: Georgiev, Dimitar, et al.
Published: (2023)
Investigating Anharmonicities in Polarization-Orientation Raman Spectra of Acene Crystals with Machine Learning
by: Lazzaroni, Paolo, et al.
Published: (2025)
by: Lazzaroni, Paolo, et al.
Published: (2025)
Automated structure discovery for Tip Enhanced Raman Spectroscopy
by: Sethi, Harshit, et al.
Published: (2026)
by: Sethi, Harshit, et al.
Published: (2026)
Phonon, Infrared and Raman Spectra of LiGa5O8 from Density Functional Perturbation Theory
by: Sadman, Sarker Md., et al.
Published: (2025)
by: Sadman, Sarker Md., et al.
Published: (2025)
Machine Learning Based Optical Thermometry Using Photoluminescence and Raman Spectra of Diamonds Containing SiV Centers
by: Hossain, Md Shakhawath, et al.
Published: (2025)
by: Hossain, Md Shakhawath, et al.
Published: (2025)
A Shift-Invariant Deep Learning Framework for Automated Analysis of XPS Spectra
by: Saddiq, Issa, et al.
Published: (2026)
by: Saddiq, Issa, et al.
Published: (2026)
Automated all-functionals infrared and Raman spectra
by: Bastonero, Lorenzo, et al.
Published: (2023)
by: Bastonero, Lorenzo, et al.
Published: (2023)
Revealing Fast Ionic Conduction in Solid Electrolytes through Machine Learning Accelerated Raman Calculations
by: Grumet, Manuel, et al.
Published: (2025)
by: Grumet, Manuel, et al.
Published: (2025)
Raman and IR Signatures of Mo3S4 and Mo3S13 Molybdenum Sulphide Molecular Catalysts for Solar Hydrogen Evolution
by: Adams, Pardis, et al.
Published: (2025)
by: Adams, Pardis, et al.
Published: (2025)
First-principles Nonadiabatic Dynamics of Molecules at Metal Surfaces with Vibrationally Coupled Electron Transfer
by: Meng, Gang, et al.
Published: (2024)
by: Meng, Gang, et al.
Published: (2024)
Nonlocal Machine-Learned Exchange Functional for Molecules and Solids
by: Bystrom, Kyle, et al.
Published: (2023)
by: Bystrom, Kyle, et al.
Published: (2023)
Quantum Computing of Phonon Spectra and Thermal Properties of Crystalline Solids
by: Khandelwal, Naman, et al.
Published: (2026)
by: Khandelwal, Naman, et al.
Published: (2026)
Vibrational Energy Dissipation in Non-Contact Single-Molecule Junctions Governed by Local Geometry and Electronic Structure
by: Hörmann, Lukas, et al.
Published: (2025)
by: Hörmann, Lukas, et al.
Published: (2025)
Second-Order Raman Scattering in Exfoliated Black Phosphorus
by: Favron, Alexandre, et al.
Published: (2024)
by: Favron, Alexandre, et al.
Published: (2024)
Vibrational Entropy and Free Energy of Solid Lithium using Covariance of Atomic Displacements Enabled by Machine Learning
by: Phuthi, Mgcini Keith, et al.
Published: (2024)
by: Phuthi, Mgcini Keith, et al.
Published: (2024)
Lattice Vibration, Raman Modes and Room-Temperature Spin-Phonon Coupling in Intrinsic 2D van der Waals Ferromagnetic Fe3GaTe2
by: Zhang, Gaojie, et al.
Published: (2024)
by: Zhang, Gaojie, et al.
Published: (2024)
Properties of the water to boron nitride interaction: from zero to two dimensions with benchmark accuracy
by: Al-Hamdani, Yasmine S., et al.
Published: (2017)
by: Al-Hamdani, Yasmine S., et al.
Published: (2017)
Are Molecules Magical? Non-Stabilizerness in Molecular Bonding
by: Sarkis, Matthieu, et al.
Published: (2025)
by: Sarkis, Matthieu, et al.
Published: (2025)
Core-Ionized States and X-ray Photoelectron Spectra of Solids From Periodic Algebraic Diagrammatic Construction Theory
by: Ahmed, Abdelrahman M., et al.
Published: (2025)
by: Ahmed, Abdelrahman M., et al.
Published: (2025)
Anharmonic Vibrational States of Double-Well Potentials in the Solid State from DFT Calculations
by: Mitoli, Davide, et al.
Published: (2024)
by: Mitoli, Davide, et al.
Published: (2024)
Musical Molecules: Sonifying the IR Spectra and Modeling Intramolecular Vibrational Energy Redistribution of Small Molecules
by: Kim, Sophia H., et al.
Published: (2026)
by: Kim, Sophia H., et al.
Published: (2026)
Mechanical Properties of Nanoporous Graphenes: Transferability of Graph Machine‐Learned Force Fields Compared to Local and Reactive Potentials
by: Adil Kabylda, et al.
Published: (2024)
by: Adil Kabylda, et al.
Published: (2024)
Machine Learning Multiscale Interactions
by: Solé, Àlex, et al.
Published: (2026)
by: Solé, Àlex, et al.
Published: (2026)
Grain Boundary Segregation Predicted by Quantum-Accurate Segregation Spectra but not by Classical Models
by: Wagih, Malik, et al.
Published: (2023)
by: Wagih, Malik, et al.
Published: (2023)
API Phonons: Python Interfaces for Phonon Transport Modeling
by: Qian, Xin, et al.
Published: (2024)
by: Qian, Xin, et al.
Published: (2024)
Vibrations and tunneling of strained nanoribbons at finite temperature
by: Hanakata, Paul Z., et al.
Published: (2023)
by: Hanakata, Paul Z., et al.
Published: (2023)
Sensing Vibrations using Quantum Geometry of Electrons
by: R, Bhuvaneswari, et al.
Published: (2024)
by: R, Bhuvaneswari, et al.
Published: (2024)
From Data-Driven Models to Physical Insight: Vibrational Entropy Governed by Atomic Volume
by: Tripathi, Shivam, et al.
Published: (2026)
by: Tripathi, Shivam, et al.
Published: (2026)
Abinit 2025: New Capabilities for the Predictive Modeling of Solids and Nanomaterials
by: Verstraete, Matthieu J., et al.
Published: (2025)
by: Verstraete, Matthieu J., et al.
Published: (2025)
Similar Items
-
A Journey With THeSeuSS: Automated Python Tool for Modeling IR and Raman Vibrational Spectra of Molecules and Solids
by: Ariadni Boziki, et al.
Published: (2025) -
Vibrational Spectra of Materials and Molecules from Partially-Adiabatic Elevated-Temperature Centroid Molecular Dynamics
by: Castro, Jorge, et al.
Published: (2025) -
Force-Matching Based Polarizable and Non-Polarizable Force Fields for Perovskite and Non-Perovskite Phases of CsPbI$_3$
by: Vona, C., et al.
Published: (2024) -
Chiral Vibrational Modes in Small Molecules
by: Feng, Jichen, et al.
Published: (2025) -
Delta Machine Learning for Predicting Dielectric Properties and Raman Spectra
by: Grumet, Manuel, et al.
Published: (2023)