Cover Image

Characterizing Reaction Route Map of Realistic Molecular Reactions based on Weight Rank Clique Filtration of Persistent Homology

Fuente: arXiv

Saved in:

Bibliographic Details
Main Authors:	Murayama, Burai, Kobayashi, Masato, Aoki, Masamitsu, Ishibashi, Suguru, Saito, Takuya, Nakamura, Takenobu, Teramoto, Hiroshi, Taketsugu, Tetsuya
Format:	Preprint
Published:	2022
Subjects:	Chemical Physics Data Analysis, Statistics and Probability
Online Access:	Acceder al recurso
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Unraveling Reaction Path Bifurcation: Insights Into Electron Movement via Natural Reaction Orbitals
by: Tatsuhiro Nakanishi, et al.
Published: (2025)

The Walk-Length Filtration for Persistent Homology on Weighted Directed Graphs
by: Muñoz, David E., et al.
Published: (2025)

Persistent Homology Reveals the Role of Stiffness in Forming Topological Glasses in Dense Solutions of Ring Polymers
by: Goto, Shota, et al.
Published: (2024)

Quasimorphisms of free products of racks and quandles
by: Aoki, Masamitsu
Published: (2024)

Hydrogen‐Assisted Ring Opening of Methylcyclohexane on Pt(111) and Ir(111): A Comparative Theoretical Study of the Reaction Mechanism
by: Esackraj Karthikraja, et al.
Published: (2026)

Derivation of the Invariant Free-Energy Landscape Based on Langevin Dynamics
by: Nakamura, Takenobu
Published: (2018)

Electrostatic forces from reactive molecular orbitals driving chemical reactions
by: Tsuneda, Takao, et al.
Published: (2024)

Directing the Electrode-Electrolyte Interface Towards Active Nickel-Based Electrocatalysts for Oxygen Evolution Reaction
by: Wang, Ben, et al.
Published: (2024)

Flow-Aware Ellipsoidal Filtration for Persistent Homology of Recurrent Signals
by: Eryilmaz, Omer Bahadir, et al.
Published: (2025)

CliquePH: Higher-Order Information for Graph Neural Networks through Persistent Homology on Clique Graphs
by: Buffelli, Davide, et al.
Published: (2024)

Low-Dimensional Projection of Reactive Islands in Chemical Reaction Dynamics Using a Supervised Dimensionality Reduction Method
by: Tanaka, Ryoichi, et al.
Published: (2024)

Molecular Dynamics‐Based Conformational Simulation Method for Analysis of Arrival Time Distributions in Ion Mobility Mass Spectrometry (Adv. Theory Simul. 11/2024)
by: Keisuke Tashiro, et al.
Published: (2024)

Chiral Tetrakis Eu(III) Complexes with Ammonium Cations for Improved Circularly Polarized Luminescence
by: Makoto Tsurui, et al.
Published: (2024)

Innenrücktitelbild: Chiral Tetrakis Eu(III) Complexes with Ammonium Cations for Improved Circularly Polarized Luminescence (Angew. Chem. 34/2024)
by: Makoto Tsurui, et al.
Published: (2024)

Persistent homology elucidates hierarchical structures responsible for mechanical properties in covalent amorphous solids
by: Minamitani, Emi, et al.
Published: (2024)

Transitions and Thermodynamics on Species Graphs of Chemical Reaction Networks
by: Sugie, Keisuke, et al.
Published: (2024)

Lingering Effects on the Ecology of Medical Care After the COVID ‐19 Pandemic: A Nationwide Repeated Cross‐Sectional Study in Japan
by: Takuya Aoki, et al.
Published: (2025)

Mathematical model of information bubbles on networks
by: Burai, Pál, et al.
Published: (2024)

Evaluation of cell adhesion and inflammatory response of chitin and chitosan nanofibers patterned by inkjet printing
by: Tetsuya Katuragawa, et al.
Published: (2024)

Mix-GENEO: A Flexible Filtration for Multiparameter Persistent Homology Detects Digital Images
by: He, Jiaxing, et al.
Published: (2024)

Stability for Inference with Persistent Homology Rank Functions
by: Wang, Qiquan, et al.
Published: (2023)

Stability for Inference with Persistent Homology Rank Functions
by: Qiquan Wang, et al.
Published: (2024)

Convex Analysis of Relaxation Dynamics in Chemical Reaction Networks and Generalized Gradient Flows
by: Sugie, Keisuke, et al.
Published: (2026)

Persistent Homology of Topic Networks for the Prediction of Reader Curiosity
by: Hopp, Manuel D. S., et al.
Published: (2025)

Clique Homology is QMA1-hard
by: Crichigno, Marcos, et al.
Published: (2022)

Persistent Homology for MCI Classification: A Comparative Analysis between Graph and Vietoris-Rips Filtrations
by: Bhattacharya, Debanjali, et al.
Published: (2024)

Single Transition Layer in Mass-Conserving Reaction-Diffusion Systems with Bistable Nonlinearity
by: Kuwamura, Masataka, et al.
Published: (2023)

Optimal sensing and control of run-and-tumble chemotaxis
by: Nakamura, Kento, et al.
Published: (2021)

Gradient sensing limit of a cell when controlling the elongating direction
by: Nakamura, Kento, et al.
Published: (2024)

Probing Anharmonic and Heterogeneous Carrier Dynamics Across Sublattice Melting in a Minimal Model Superionic Conductor
by: Niyogi, Sucharita, et al.
Published: (2026)

Coacervates Composed of Low‐Molecular‐Weight Compounds– Molecular Design, Stimuli Responsiveness, Confined Reaction
by: Sayuri L. Higashi, et al.
Published: (2025)

MR-UBi: Mixed Reality-Based Underwater Robot Arm Teleoperation System with Reaction Torque Indicator via Bilateral Control
by: Nishi, Kohei, et al.
Published: (2025)

Front Cover
by: Satoi Wada, et al.
Published: (2024)

Whitehead Filtrations for Computations in Topological Hochschild Homology
by: Hyslop, Logan
Published: (2023)

A Hexaarylbiimidazole‐Terarylene Hybrid: Visible‐to‐NIR‐II Absorption via Sequential Photochromic Reactions
by: Katsuya Mutoh, et al.
Published: (2024)

Betti numbers and torsions in homology groups of double coverings
by: Ishibashi, Suguru, et al.
Published: (2022)

Breakup Reactions of Neutron Halo Nuclei
by: T. Nakamura
Published: (2006)

Are Final Market Prices Sufficient for Information Aggregation? Evidence from Last-Minute Dynamics in Parimutuel Betting
by: Hanyu, Hiroaki, et al.
Published: (2025)

Enhanced Degradation and Selective Photoreforming of Polylactic Acid via Solar‐Driven Photocatalytic Reactions
by: Hirai Aida, et al.
Published: (2025)

Theoretical Design and Synthesis of Caged Compounds Using X‐Ray‐Triggered Azo Bond Cleavage
by: Koki Ogawara, et al.
Published: (2024)