An efficient method based on the evolutionary center algorithm for optimizing chemical-diffusive models for flame acceleration and DDT
Fuente:
arXiv
Enregistré dans:
| Auteurs principaux: | Xiao, Huahua, Zhang, Xu, Zhao, Mingbin, Shi, Congling |
|---|---|
| Format: | Preprint |
| Publié: |
2026
|
| Sujets: | |
| Accès en ligne: | |
| Tags: |
Ajouter un tag
Pas de tags, Soyez le premier à ajouter un tag!
|
Documents similaires
A 3D pocket-aware and evolutionary conserved interaction guided diffusion model for molecular optimization
par: Qiao, Anjie, et autres
Publié: (2025)
par: Qiao, Anjie, et autres
Publié: (2025)
AUGUR, A flexible and efficient optimization algorithm for identification of optimal adsorption sites
par: Kouroudis, Ioannis, et autres
Publié: (2024)
par: Kouroudis, Ioannis, et autres
Publié: (2024)
Systematic partitioning of proteins for quantum-chemical fragmentation methods using graph algorithms
par: Wolter, Mario, et autres
Publié: (2020)
par: Wolter, Mario, et autres
Publié: (2020)
Molecular docking via quantum approximate optimization algorithm
par: Ding, Qi-Ming, et autres
Publié: (2023)
par: Ding, Qi-Ming, et autres
Publié: (2023)
Towards chemical accuracy for chemi- and physisorption with an efficient density functional
par: Kothakonda, Manish, et autres
Publié: (2024)
par: Kothakonda, Manish, et autres
Publié: (2024)
Large-eddy simulation of turbulent spray flames: Effects of scalar correlation and enthalpy reduction in flamelet modeling
par: Wang, Dong, et autres
Publié: (2024)
par: Wang, Dong, et autres
Publié: (2024)
A large language model system for the field of chemical engineering technology
par: Zhang, Heng, et autres
Publié: (2025)
par: Zhang, Heng, et autres
Publié: (2025)
Optimizing reaction and transport fluxes in temperature gradient-driven chemical reaction-diffusion systems
par: Loukili, Mohammed, et autres
Publié: (2024)
par: Loukili, Mohammed, et autres
Publié: (2024)
Physics-informed active learning for accelerating quantum chemical simulations
par: Hou, Yi-Fan, et autres
Publié: (2024)
par: Hou, Yi-Fan, et autres
Publié: (2024)
An algorithm for atom-centered lossy compression of the atomic orbital basis in density functional theory calculations
par: Lara, Anthony O., et autres
Publié: (2025)
par: Lara, Anthony O., et autres
Publié: (2025)
Charge-transport enhanced by the quantum entanglement in the Photosystem II reaction center
par: Li, Ling-Fang, et autres
Publié: (2024)
par: Li, Ling-Fang, et autres
Publié: (2024)
Simple and efficient computational strategies for calculating orbital energies and pair-orbital energies from pCCD-based methods
par: Jahani, Seyedehdelaram, et autres
Publié: (2025)
par: Jahani, Seyedehdelaram, et autres
Publié: (2025)
Implementation of the multigrid Gaussian-Plane-Wave algorithm with GPU acceleration in PySCF
par: Li, Rui, et autres
Publié: (2026)
par: Li, Rui, et autres
Publié: (2026)
Time evolving matrix product operator (TEMPO) method in a non-diagonal basis set based on derivative of the path integral expression
par: Zhang, Shuocang, et autres
Publié: (2024)
par: Zhang, Shuocang, et autres
Publié: (2024)
Finite elements and moving asymptotes accelerate quantum optimal control -- FEMMA
par: He, Mengjia, et autres
Publié: (2025)
par: He, Mengjia, et autres
Publié: (2025)
A Kaczmarz-inspired approach to accelerate the optimization of neural network wavefunctions
par: Goldshlager, Gil, et autres
Publié: (2024)
par: Goldshlager, Gil, et autres
Publié: (2024)
The generalized method of separation of variables for diffusion-influenced reactions: Irreducible Cartesian tensors technique
par: Traytak, Sergey D.
Publié: (2024)
par: Traytak, Sergey D.
Publié: (2024)
Orbital optimization of large active spaces via AI-accelerators
par: Legeza, Örs, et autres
Publié: (2025)
par: Legeza, Örs, et autres
Publié: (2025)
Spin parameter optimization for spin-polarized extended tight-binding methods
par: Moradi, Siyavash, et autres
Publié: (2024)
par: Moradi, Siyavash, et autres
Publié: (2024)
Parallel accelerated electron paramagnetic resonance spectroscopy using diamond sensors
par: Huang, Zhehua, et autres
Publié: (2025)
par: Huang, Zhehua, et autres
Publié: (2025)
Physics-based inverse modeling of battery degradation with Bayesian methods
par: Philipp, Micha C. J., et autres
Publié: (2024)
par: Philipp, Micha C. J., et autres
Publié: (2024)
Local thermal probe in a one-dimensional chain: An efficient dissipaton-based approach
par: Qi, Hao-Yang, et autres
Publié: (2026)
par: Qi, Hao-Yang, et autres
Publié: (2026)
Constructing accurate and efficient general-purpose atomistic machine learning model with transferable accuracy for quantum chemistry
par: Chen, Yicheng, et autres
Publié: (2024)
par: Chen, Yicheng, et autres
Publié: (2024)
Quantum Flow algorithm: quantum simulations of chemical systems using reduced quantum resources and constant depth quantum circuits
par: Jayee, Bhumika, et autres
Publié: (2026)
par: Jayee, Bhumika, et autres
Publié: (2026)
Accuracy of reaction coordinate based rate theories for modelling chemical reactions: insights from the thermal isomerization in retinal
par: Ghysbrecht, Simon, et autres
Publié: (2023)
par: Ghysbrecht, Simon, et autres
Publié: (2023)
3-center and 4-center 2-particle Gaussian AO integrals on modern accelerated processors
par: Asadchev, Andrey, et autres
Publié: (2024)
par: Asadchev, Andrey, et autres
Publié: (2024)
Balancing chemical equations: form the perspective of Hilbert basis
par: Zhang, Zeying, et autres
Publié: (2024)
par: Zhang, Zeying, et autres
Publié: (2024)
Short-range $Δ$-Machine Learning: A cost-efficient strategy to transfer chemical accuracy to condensed phase systems
par: Mészáros, Bence Balázs, et autres
Publié: (2025)
par: Mészáros, Bence Balázs, et autres
Publié: (2025)
Enhancing GPU-acceleration in the Python-based Simulations of Chemistry Framework
par: Wu, Xiaojie, et autres
Publié: (2024)
par: Wu, Xiaojie, et autres
Publié: (2024)
Benchmarking the accuracy of the separable resolution of the identity approach for correlated methods in the numeric atom-centered orbitals framework
par: Delesma, Francisco A., et autres
Publié: (2023)
par: Delesma, Francisco A., et autres
Publié: (2023)
Assessing the impact of nodal surface optimization in fixed-node diffusion Monte Carlo on non-covalent interactions
par: Nakano, Kousuke, et autres
Publié: (2026)
par: Nakano, Kousuke, et autres
Publié: (2026)
A deep learning model for chemical shieldings in molecular organic solids including anisotropy
par: Kellner, Matthias, et autres
Publié: (2025)
par: Kellner, Matthias, et autres
Publié: (2025)
An accurate and efficient framework for modelling the surface chemistry of ionic materials
par: Shi, Benjamin X., et autres
Publié: (2024)
par: Shi, Benjamin X., et autres
Publié: (2024)
Optimal defence strategy for chemical industry park cyber–physical systems: An improved logit dynamic evolutionary game‐theoretic method
par: Yihong Huang, et autres
Publié: (2025)
par: Yihong Huang, et autres
Publié: (2025)
Generating candidates in global optimization algorithms using complementary energy landscapes
par: Slavensky, Andreas Møller, et autres
Publié: (2024)
par: Slavensky, Andreas Møller, et autres
Publié: (2024)
Accelerating inverse materials design using generative diffusion models with reinforcement learning
par: Chen, Junwu, et autres
Publié: (2025)
par: Chen, Junwu, et autres
Publié: (2025)
Quantum dynamics evolution predicted by the long short-term memory network in the photosystem II reaction center
par: Zhao, Zi-Ran, et autres
Publié: (2024)
par: Zhao, Zi-Ran, et autres
Publié: (2024)
Theoretical analysis of chemical reactions using a variational quantum eigensolver method without specifying molecular charge
par: Shirai, Soichi, et autres
Publié: (2024)
par: Shirai, Soichi, et autres
Publié: (2024)
Ehrenfest dynamics accelerated with SPEED
par: Scheidegger, Alan, et autres
Publié: (2025)
par: Scheidegger, Alan, et autres
Publié: (2025)
Freeze-and-release direct optimization method for variational calculations of excited electronic states
par: Schmerwitz, Yorick L. A., et autres
Publié: (2025)
par: Schmerwitz, Yorick L. A., et autres
Publié: (2025)
Documents similaires
-
A 3D pocket-aware and evolutionary conserved interaction guided diffusion model for molecular optimization
par: Qiao, Anjie, et autres
Publié: (2025) -
AUGUR, A flexible and efficient optimization algorithm for identification of optimal adsorption sites
par: Kouroudis, Ioannis, et autres
Publié: (2024) -
Systematic partitioning of proteins for quantum-chemical fragmentation methods using graph algorithms
par: Wolter, Mario, et autres
Publié: (2020) -
Molecular docking via quantum approximate optimization algorithm
par: Ding, Qi-Ming, et autres
Publié: (2023) -
Towards chemical accuracy for chemi- and physisorption with an efficient density functional
par: Kothakonda, Manish, et autres
Publié: (2024)