:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Author:	Nguyen, Ngoc-Cuong
Format:	Preprint
Published:	2022
Subjects:	Chemical Physics Materials Science
Online Access:	https://arxiv.org/abs/2212.14549
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Active-Spin-State-Derived Descriptor for Hydrogen Evolution Reaction Catalysis
by: Tan, Yu, et al.
Published: (2025)

Edge Irregularity Strength: A Complementary Descriptor to Topological Indices in QSPR and QSAR Studies
by: Kumar, U. Vijaya Chandra, et al.
Published: (2025)

Identifying the Catalytic Descriptor of Single-Atom Catalysts in Nitrate Reduction Reaction: An Interpretable Machine-Learning Method
by: Zhu, Zhen, et al.
Published: (2025)

Universal Catalyst Design Framework for Electrochemical Hydrogen Peroxide Synthesis Facilitated by Local Atomic Environment Descriptors
by: Liu, Zhijian, et al.
Published: (2025)

Machine Learning Accelerated Descriptor Design for Catalyst Discovery in CO$_2$ to Methanol Conversion
by: Pisal, Prajwal, et al.
Published: (2024)

Exceptional Alkaline Methanol Electrooxidation on Bi-modified Pt3M Intermetallics: Kinetic Origins and an OH Binding Energy Descriptor
by: Liang, Lecheng, et al.
Published: (2025)

Chemical Foundation Model Guided Design of High Ionic Conductivity Electrolyte Formulations
by: Zohair, Murtaza, et al.
Published: (2025)

Insights into Ionic Diffusion in C-S-H Gel Pore from Molecular Dynamics Simulations: Spatial Distributions, Energy Barriers, and Structural Descriptor
by: Chen, Weiqiang, et al.
Published: (2025)

Unifying Chemical and Electrochemical Thermodynamics of Electrodes
by: Yao, Archie Mingze, et al.
Published: (2025)

Chemical and Conformational Control of the Spectroscopic Properties of Multi-Layer and Multi-Defect Carbon Dots
by: Mehmood, Arshad, et al.
Published: (2025)

Chemical Origins of Non-Bonded Interactions Within and Between Solids
by: Robinson, Paul J., et al.
Published: (2026)

Current progress in corrosion of multi principal element alloys
by: Ghorbani, M., et al.
Published: (2024)

A Simple Iterative Approach for Constant Chemical Potential Simulations at Interfaces
by: Soyemi, Ademola, et al.
Published: (2025)

Chemical Compositions of Soot Samples in Gold Electrode Capacitors: Molecular Simulations
by: Chaban, Vitaly V., et al.
Published: (2024)

Chemical Reaction Engineering and Catalysis: AI/ML Workflows and Self-Driving Laboratories
by: Advincula, Rigoberto, et al.
Published: (2026)

SITH: A Quantum-Chemical Framework for Predicting Bond Destabilization in Stretched Molecules
by: Sucerquia, Daniel, et al.
Published: (2026)

Heptazine, Cyclazine, and Related Compounds: Chemically-Accurate Estimates of the Inverted Singlet-Triplet Gap
by: Loos, Pierre-François, et al.
Published: (2023)

Solid-liquid coexistence of the noble elements. I. Theory illustrated by the case of argon
by: Singh, Aditya N., et al.
Published: (2020)

Computer Simulation of the Growth of a Metal-Organic Framework Proto-crystal at Constant Chemical Potential
by: Gargari, Sahar Andarzi, et al.
Published: (2025)

Facet-dependent Chemical Kinetics Governed Growth of Twisted Graphene Layers with Pre-designed Angles
by: Xue, Chaowu, et al.
Published: (2026)

High-entropy oxide photocatalysts for green ammonia synthesis from nitrogen fixation in water
by: Nguyen, Thanh Tam, et al.
Published: (2025)

(Electro)catalytic oxidation of sulfide and recovery of elemental sulfur from sulfide-laden streams
by: Sergienko, Natalia, et al.
Published: (2024)

Energy dependent Chemical Interface Damping induced by 1-Decanethiol Self-Assembled Monolayer on Au(111)
by: Pfeiffer, Maurice, et al.
Published: (2025)

Chemical Interface Damping by Electrochemical Gold Oxidation
by: Pfeiffer, Maurice, et al.
Published: (2024)

ORION: Unifying Top-Down and Bottom-Up Chemical Space Sampling for a Universal Organic Force Field
by: Chen, Zherui, et al.
Published: (2026)

Operando Characterization and Molecular Simulations Reveal the Growth Kinetics of Graphene on Liquid Copper during Chemical Vapor Deposition
by: Rein, Valentina, et al.
Published: (2023)

Operando Ultrafast Damage-free Diffraction-Enhanced X-ray Absorption Spectroscopy for Chemical Reactivity of Polymer in Solvents
by: Peng, Zhengxing, et al.
Published: (2024)

Chemical Origin of Exciton Self-trapping in Cs$_3$Cu$_2$X$_5$ Cesium Copper Halides
by: Wu, Zijin, et al.
Published: (2026)

Enhanced Performance of Highly Activated Carbon and Surface-Treated Porous Polymers as Physical Adsorbents for Chemical Warfare Agents
by: Park, Sanghyeon, et al.
Published: (2025)

A Cluster-Based Computational Thermodynamics Framework with Intrinsic Chemical Short-Range Order: Part I. Configurational Contribution
by: Fu, Chu-Liang, et al.
Published: (2023)

Chemical interaction and molecular growth of a highly dipolar merocyanine molecule on metal surfaces: A photoelectron spectroscopy study
by: Oecal, Baris, et al.
Published: (2024)

Real-Time Coupled Electron-Nuclear Dynamics of Chemical Bond Formation: Hydrogen Scattering from a Semiconductor Surface
by: Shi, Jialong, et al.
Published: (2025)

A machine-learned kinetic energy model for light weight metals and compounds of group III-V elements
by: Lüder, Johann, et al.
Published: (2024)

Charting new regions of Cobalt's chemical space with maximally large magnetic anisotropy: A computational high-throughput study
by: Mariano, Lorenzo A., et al.
Published: (2024)

Automatic Identification of Compounds in Molecular Mixtures from Liquid-Phase Infrared Spectra
by: Melle, Yannah J. U., et al.
Published: (2026)

A finite-element Delta-Sternheimer approach for computing accurate all-electron RPA correlation energies of polyatomic molecules
by: Peng, Hao, et al.
Published: (2025)

Identification of Solid-Electrolyte Interphase Species by Joint Characterization of Li-ion Battery Chemistry by Mass Spectrometry and Electro-Chemical Reaction Networks
by: Abdelgaid, Mona, et al.
Published: (2026)

Photoreforming of plastic waste into valuable products and hydrogen using a high-entropy oxynitride with distorted atomic-scale structure
by: Hai, Ho Truong Nam, et al.
Published: (2024)

ADEPT-PolyGraphMT: Automated Molecular Simulation and Multi-Task Multi-Fidelity Machine Learning for Polymer Property Generation and Prediction
by: Alosious, Sobin, et al.
Published: (2026)

Phase and sulfur vacancy engineering in cadmium sulfide for boosting hydrogen production from catalytic plastic waste photoconversion
by: Nguyen, Thanh Tam, et al.
Published: (2025)