Image de couverture de livre

Short time-to-solution Quantum Monte Carlo for catalysed hydrogen synthesis. Tools give CO hydrolysis activation barriers to 1kJ/mol on Pt(111)

Fuente: arXiv

Enregistré dans:

Détails bibliographiques
Auteurs principaux:	Bagci, Ali, Hoggan, Philip E
Format:	Preprint
Publié:	2025
Sujets:	Materials Science
Accès en ligne:	Acceder al recurso
Tags:	Ajouter un tag Pas de tags, Soyez le premier à ajouter un tag!

Documents similaires

Complete and Orthonormal Sets of Exponential-type Orbitals with non-integer quantum numbers. On the results for many-electron atoms using Roothaan's LCAO method
par: Bagci, Ali, et autres
Publié: (2025)

New Atomic Orbital Functions.Complete and Orthonormal Sets of ETOs with Non-integer Quantum Numbers.Results for He-like atoms
par: Bagci, A., et autres
Publié: (2025)

Relativistic exponential-type spinor orbitals and their use in many-electron Dirac equation solution
par: Bagci, Ali
Publié: (2024)

Construction and Experimental Study of a 2.5kJ, Simply Configured, Mather Type Plasma focus device
par: B. Shirani
Publié: (2010)

Electron-positron pair generation using a single kJ-class laser pulse in a foam-reflector setup
par: Mathiak, Oliver, et autres
Publié: (2025)

Generation of 10 kT Axial Magnetic Fields Using Multiple Conventional Laser Beams: A Sensitivity Study for kJ PW-Class Laser Facilities
par: Hao, Jue Xuan, et autres
Publié: (2023)

Thermodynamic ($p,ρ,T$) characterization of a reference high-calorific natural gas mixture when hydrogen is added up to 20 % (mol/mol)
par: Lozano-Martín, Daniel, et autres
Publié: (2024)

Psychological stress catalyses free radical–mediated activation of coagulation in humans
par: Lewis Fall, et autres
Publié: (2026)

N-dimensional Coulomb-Sturmians with noninteger quantum numbers
par: Bagci, Ali
Publié: (2026)

Microstructural Evolution, Fracture Behavior, and Toughness Deterioration Mechanism of EH36 Steel Under Ultra‐High Heat Input Welding (600 kJ cm − 1 )
par: Pan Zhang, et autres
Publié: (2025)

One‐pot synthesis of phenylacetaldehyde from styrene via metal oxide catalysed oxidation in presence of cumene hydroperoxide
par: Sudip Das
Publié: (2024)

Quantum Monte Carlo Benchmarking of Molecular Adsorption on Graphene-Supported Single Pt Atom
par: Ahn, Jeonghwan, et autres
Publié: (2025)

Impact of hydrogen addition, up to 20 % (mol/mol), on the thermodynamic ($p$, $ρ$, $T$) properties of a reference high-calorific natural gas mixture with significant ethane and propane content
par: Lozano-Martín, Daniel, et autres
Publié: (2025)

Comment to the paper J. Yan et al. Experimental confirmation of driving pressure boosting and smoothing for hybrid-drive inertial fusion at the 100-kJ laser facility [Nature Communications (2023) 14:5782]
par: Lan, Ke
Publié: (2024)

Perturbative solution of fermionic sign problem in lattice Quantum Monte Carlo
par: Iskakov, Sergei, et autres
Publié: (2023)

Nodal error behind discrepancies between coupled cluster and diffusion Monte Carlo in hydrogen-bonded systems
par: Lambie, S., et autres
Publié: (2025)

High pressure hydrogen by machine learning and quantum Monte Carlo
par: Tirelli, Andrea, et autres
Publié: (2021)

Melting of atomic hydrogen and deuterium with path-integral Monte Carlo
par: Ly, Kevin K., et autres
Publié: (2024)

Peptide cyclization catalysed by the thioesterase domain of tyrocidine synthetase
par: Trauger John W., Kohli Rahul M., Mootz Henning D., Marahiel Mohamed A. and Walsh Christopher T
Publié: (2000)

Warming and cooling catalyse widespread temporal turnover in biodiversity.
par: Pinsky, Malin L, et autres
Publié: (2025)

Rechargeable Zn‐H2O hydrolysis battery for hydrogen storage and production
par: Muya Cai, et autres
Publié: (2024)

Monte Carlo simulation of the ISOLPHARM gamma camera for Ag-111 imaging
par: Serafini, D., et autres
Publié: (2025)

Easy to give certification for solution to anxiety in cats
Publié: (2026)

Effect of experimentally observed hot atom adsorption mechanism on the phase diagram of monomer-dimer catalytic reaction on Pt(111): a Monte-Carlo Simulation Study
par: Q. N. Malik
Publié: (2006)

Glucosinolate hydrolysis in kohlrabi tissues ‐ the influence of glucosinolate profile, specifier protein and myrosinase activity on the outcome of hydrolysis
par: Kudzai G. Mbudu, et autres
Publié: (2024)

From Kinetic Gateways to Thermodynamic Locking: Unveiling the Dynamic Adsorption Landscape of CO on Pt(111)
par: Kaiyi Zhao, et autres
Publié: (2026)

Sequential Monte Carlo with active subspaces
par: Ripoli, Leonardo, et autres
Publié: (2024)

Data-driven verification and synthesis of stochastic systems via barrier certificates
par: Ali Salamati, et autres
Publié: (2025)

Hybrid Population Monte Carlo
par: Mousavi, Ali, et autres
Publié: (2024)

Intrinsic $k_T$ and soft gluons in Monte Carlo event generators
par: Moureaux, Louis, et autres
Publié: (2025)

Quantum Monte Carlo calculations of electron scattering from $^{12}\text{C}$ in the Short-Time Approximation
par: Andreoli, Lorenzo, et autres
Publié: (2024)

Quantum Monte Carlo Integration for Simulation-Based Optimisation
par: Cui, Jingjing, et autres
Publié: (2024)

Electronic excitation spectra of molecular hydrogen in Phase I from Quantum Monte Carlo and Many-Body perturbation methods
par: Gorelov, Vitaly, et autres
Publié: (2023)

Quantum states and static field ionization of a cylindrical confined hydrogen atom: A diffusion Monte Carlo study
par: Gaia Micca Longo, et autres
Publié: (2024)

To give or not give corticosteroids; that is the question
par: Claire E. Ciarkowski, et autres
Publié: (2024)

In situ synthesis of porous Pt–Pd bimetallic structures for sweat glucose biosensing using dynamic hydrogen bubble template method
par: Yi‐Wen Guo, et autres
Publié: (2024)

Author Correction: Warming and cooling catalyse widespread temporal turnover in biodiversity.
par: Pinsky, Malin L, et autres
Publié: (2025)

Experimental Realization of the Markov Chain Monte Carlo Algorithm on a Quantum Computer
par: Claudon, Baptiste, et autres
Publié: (2026)

To give or not to give? The influence of relative status and tie strength on feedback giving
par: Xinyu Hu, et autres
Publié: (2026)

Significant enzymatic activities in the residues hydrolysis of the sugar cane harvest
par: Jairo Salcedo
Publié: (2019)