Image de couverture de livre

ChatMOSP: A Chemistry-Grounded Mobile Agent for Working-State Catalyst Simulations

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Ye, Sanyang, Qi, Rui, Zhu, Beien, Gao, Yi
Format:	Preprint
Publié:	2026
Sujets:	Materials Science Atomic and Molecular Clusters Classical Physics
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Bilayer B80 Structure: High Stability and Experimental Support for Existence
par: Chen, Yi-Sha, et autres
Publié: (2025)

Electrically controlled nonvolatile switching of single-atom magnetism in a Dy@C84 single-molecule transistor
par: Wang, Feng, et autres
Publié: (2024)

Evolution of cavities in BCC-Fe with coexisting H and He under fusion environments
par: Wang, Jin, et autres
Publié: (2025)

Quantum spin excitations in a dual-core magnetic molecule
par: Li, Wenbin, et autres
Publié: (2025)

Non-equilibrium Molecular Dynamics Study of Surface Wettability Effects on Pool Boiling of Water over Nanoscale Aluminum Substrate
par: Sotoudeh, Farhad, et autres
Publié: (2025)

Crystalline and glassy tellurides of silicon
par: Bletskan, Dmytro
Publié: (2025)

A Hartree-Fock Analysis of the Finite Jellium Model
par: Píro, Michael, et autres
Publié: (2025)

Interpretable, Physics-Informed Learning Reveals Sulfur Adsorption and Poisoning Mechanisms in 13-Atom Icosahedra Nanoclusters
par: Monteiro, Raiane Ferreira, et autres
Publié: (2026)

New opportunities for high pressure hydrogen achieved by fullerane vibrating modes: an ab initio study
par: Gebac, Leonard Constantin, et autres
Publié: (2025)

Theoretical design of nanocatalysts based on (Fe$_2$O$_3$)$_n$ clusters for hydrogen production from ammonia
par: Ibragimov, Sapajan, et autres
Publié: (2024)

Structures and infrared spectroscopy of Au$_{10}$ cluster at different temperatures
par: Rojas-González, Francisco Eduardo, et autres
Publié: (2024)

How to manipulate nanoparticle morphology with vacancies
par: Smirnov, Ilia, et autres
Publié: (2024)

Tailoring Heat Transfer at Silica-Water Interfaces via Hydroxyl and Methyl Surface Groups
par: Mandrolko, Viktor, et autres
Publié: (2025)

Quantum Study of Dispersion-Corrected Electronic and Optical Properties of syn- and anti- B18H22 Clusters with/without Sulfur Doping for Tunable Optoelectronics
par: Abbas, Fakher, et autres
Publié: (2026)

Activation entropy helps explain anomalous flow stress temperature dependence in copper
par: Nahavandian, Mohammadhossein, et autres
Publié: (2025)

From Solution to Surface: Persistence of the Diradical Character of a Diindenoanthracene Derivative on a Metallic Substrate
par: Hieulle, Jeremy, et autres
Publié: (2025)

Accelerated structure-stability energy-free calculator
par: Boucher, Alexandre, et autres
Publié: (2024)

Evaporation of cations from non-conductive nano-samples using single-cycle THz pulses: an experimental and theoretical study
par: De Tullio, Matteo, et autres
Publié: (2024)

Simulation of sympathetic cooling efficiency in a linear Paul trap driven by alternative waveforms
par: Sund, Oskar, et autres
Publié: (2024)

Metallic solid-state hydrogen storage crystals achieved through chemical precompression under ambient conditions
par: Liu, Baiqiang, et autres
Publié: (2025)

Quantum Spin-1/2 Rings Built from [2]Triangulene Molecular Units
par: Li, Can, et autres
Publié: (2026)

Complete insensitivity to ab initio data -- A new perspective on modeling collision-induced absorption of noble gas atoms
par: Chandran, Nikhila Ambika, et autres
Publié: (2025)

Simulating a Catalyst induced Quantum Dynamical Phase Transition of a Heyrovsky reaction with different models for the environment
par: Lozano-Negro, Fabricio S., et autres
Publié: (2022)

Theoretical Study of C36 and O@C36 Fullerene Isomers with (C1, C2, Cs, D2, D3h) symmetries: Geometry Optimization, Electrical Properties and Spectroscopic Analysis
par: Aljneed, Fouad, et autres
Publié: (2026)

σ/π character of H-bonding in water clusters
par: Bedniakov, Aleksandr S., et autres
Publié: (2024)

Curvature-Dependent Polarity of Interfacial Energy Flow in Functionalized CNT Polymer Nanocomposites: A Reactive Molecular Dynamics Perspective
par: Hasan, Mehedi, et autres
Publié: (2025)

Development of an eReaxFF Force Field for BZY20 Solid Oxide Electrocatalysis
par: Hossain, Md Jamil, et autres
Publié: (2023)

Physical spin torques from exactly constrained exchange-correlation torques
par: Desmarais, Jacques K., et autres
Publié: (2025)

Strain-Tunable Spin Filtering and Valley Splitting Coexisting with Anomalous Hall Effect in 2D Half-Metallic VSe2/VN Heterostructure: Toward a Unified Spintronic-Valleytronic Platform
par: Chowdhury, Vivek, et autres
Publié: (2025)

3-Aminopropanol: polymolecular structures that determine unique solvation motifs
par: Novakovskaya, Yulia V.
Publié: (2021)

Formation and manipulation of diatomic rotors at the symmetry-breaking surfaces of kagome superconductors
par: Huang, Zihao, et autres
Publié: (2024)

From anti-Arrhenius to Arrhenius behavior in a dislocation-obstacle bypass: Atomistic Simulations and Theoretical Investigation
par: Nahavandian, Mohammadhossein, et autres
Publié: (2024)

Topological Edge States from Molecular Chirality: A General Framework for Dimerized Dipolar Arrays
par: Akbar, Muhammad Arsalan Ali, et autres
Publié: (2026)

Alkaline earth metal mediated inter-molecular magnetism in perfluorocubane dimers and chains
par: Li, Zhuohang, et autres
Publié: (2024)

Interfacial Charge Transfer and Electronic Structure Modulation in Ultrathin Graphene P3HT Hybrid Heterostructures
par: Mater, Yosra, et autres
Publié: (2025)

Size-dependent second-order-like phase transitions in Fe nanocluster melting from low-temperature structural isomerization
par: Hoffenberg, Louis E. S., et autres
Publié: (2024)

Crystal Generation using the Fully Differentiable Pipeline and Latent Space Optimization
par: Ridwan, Osman Goni, et autres
Publié: (2026)

Electronic State Chromatography of Lutetium Cations
par: Jana, Biswajit, et autres
Publié: (2024)

Energy Levels and Transition Rates of Laser-Cooling Candidate Th^-
par: Zhang, Rui, et autres
Publié: (2024)

Scaling Dependencies in Irradiation-Driven Molecular Dynamics Simulations: Case Study of W(CO)$_6$ Fragmentation
par: Kheto, Soumyo, et autres
Publié: (2026)