:: Library Catalog

Copertina

Salvato in:

Dettagli Bibliografici
Autori principali:	Singh, Aditya N., Dyre, Jeppe C., Pedersen, Ulf R.
Natura:	Preprint
Pubblicazione:	2020
Soggetti:	Materials Science Chemical Physics
Accesso online:	https://arxiv.org/abs/2006.07089
Tags:	Aggiungi Tag Nessun Tag, puoi essere il primo ad aggiungerne!!

Documenti analoghi

Solid-liquid coexistence of the noble elements. II. Neon, krypton and xenon
di: Singh, Aditya N., et al.
Pubblicazione: (2020)

Microscopic Theory of Density Scaling: Coarse-Graining in Space and Time
di: Jin, Jaehyeok, et al.
Pubblicazione: (2024)

Catalight -- an open source automated photocatalytic reactor package illustrated through plasmonic acetylene hydrogenation
di: Bourgeois, B. B., et al.
Pubblicazione: (2025)

Regularized Perturbation Theory for Ab initio Solids
di: Chen, Meng-Fu, et al.
Pubblicazione: (2025)

Single-run determination of the saturation vapor pressure and enthalpy of vaporization/sublimation of a substance undergoing successive solid-solid and solid-liquid phase transitions: the case of $N$-methyl acetamide
di: Salimi, Mohsen, et al.
Pubblicazione: (2026)

Nonperturbative Simulation of Anharmonic Rattler Dynamics in Type-I Clathrates with Vibrational Dynamical Mean-Field Theory
di: Jasrasaria, Dipti, et al.
Pubblicazione: (2024)

Core-Ionized States and X-ray Photoelectron Spectra of Solids From Periodic Algebraic Diagrammatic Construction Theory
di: Ahmed, Abdelrahman M., et al.
Pubblicazione: (2025)

Proton Quantum Effects on Electronic Excitation in Hydrogen-bonded Organic Solid: A First-Principles Green's Function Theory Study
di: Bhattacharya, Sampreeti, et al.
Pubblicazione: (2026)

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

Crystallisation kinetics of supercooled liquid palladium
di: Kostera, Zuzanna, et al.
Pubblicazione: (2026)

Solid Solubility in Metallic Hydrogen
di: Seeyangnok, Jakkapat, et al.
Pubblicazione: (2024)

Revealing excess protons in the infrared spectrum of liquid water
di: Artemov, V. G., et al.
Pubblicazione: (2019)

Determining the Dielectric Constant of Solid/Liquid Interfaces
di: Dadashi, Somaiyeh, et al.
Pubblicazione: (2024)

The Open Catalyst 2025 (OC25) Dataset and Models for Solid-Liquid Interfaces
di: Sahoo, Sushree Jagriti, et al.
Pubblicazione: (2025)

How reproducible are first-principles simulations of liquid water?
di: ONeill, Niamh, et al.
Pubblicazione: (2026)

Periodic Local Coupled-Cluster Theory for Insulators and Metals
di: Ye, Hong-Zhou, et al.
Pubblicazione: (2024)

Exploring the Convergence and Properties of Intrinsic Bond Orbitals in Solids
di: Wöckinger, Benjamin, et al.
Pubblicazione: (2024)

Heterogeneity in Point Defect Distribution and Mobility in Solid Ion Conductors
di: Limon, Md Salman Rabbi, et al.
Pubblicazione: (2023)

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

Size Dependent Ternary Halide Solid Solutions in Perovskite Nanocrystals
di: Levy, Shai, et al.
Pubblicazione: (2026)

An atomistic approach for modeling of polarizability and Raman scattering of water clusters and liquid water
di: Paul, Atanu, et al.
Pubblicazione: (2025)

Toward Unified Interphase Engineering: The Solid-Electrolyte Interphase in Batteries and Supercapacitors
di: Hasan, Mehedi, et al.
Pubblicazione: (2025)

Evidence for supramolecular dynamics of non-hydrogen bonding polar van der Waals liquids
di: Patil, Shalin, et al.
Pubblicazione: (2025)

Time Dependent Density Functional Theory calculations of the optical properties of charge-transfer complexes
di: Ramanjanappa, Satwik, et al.
Pubblicazione: (2024)

Strong anharmonicity dictates ultralow thermal conductivities of type-I clathrates
di: Jasrasaria, Dipti, et al.
Pubblicazione: (2024)

El Agente Sólido: A New Age(nt) for Solid State Simulations
di: Kumar, Sai Govind Hari, et al.
Pubblicazione: (2026)

Solvated electrons in polar liquids as epsilon-near-zero materials tunable in the terahertz frequency range
di: Runge, Matthias, et al.
Pubblicazione: (2025)

Adsorption and Vibrational Spectroscopy of CO on the Surface of MgO from Periodic Local Coupled-Cluster Theory
di: Ye, Hong-Zhou, et al.
Pubblicazione: (2023)

Maximum entropy mediated liquid-to-solid nucleation and transition
di: Dammann, Lars, et al.
Pubblicazione: (2024)

The entropic origin of the enhancement of liquid diffusion at the confining wall
di: Agosta, Lorenzo, et al.
Pubblicazione: (2023)

How grain structure evolution affects kinetics of a solid-state reaction: a case of interaction between iridium and zirconium carbide
di: Nikiforov, Ya. A., et al.
Pubblicazione: (2024)

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

Potential-Barrier Affinity Effect in Solid Systems
di: Xu, Qiang, et al.
Pubblicazione: (2025)

Theory of Acoustic Polarons in the Two-Dimensional SSH Model Applied to the Layered Superatomic Semiconductor Re6Se8Cl2
di: Shih, Petra, et al.
Pubblicazione: (2024)

Nonlocal Machine-Learned Exchange Functional for Molecules and Solids
di: Bystrom, Kyle, et al.
Pubblicazione: (2023)

The Impact of Inter-grain Phases on the Ionic Conductivity of LAGP Solid Electrolyte Prepared by Spark Plasma Sintering
di: Cretu, Sorina, et al.
Pubblicazione: (2022)

A Size-Dependent Ideal Solution Model for Liquid-Solid Phase Equilibria Prediction in Aqueous Organic Solutions
di: Alliston, Spencer P., et al.
Pubblicazione: (2024)

Proper Orthogonal Descriptors for Multi-element Chemical Systems
di: Nguyen, Ngoc-Cuong
Pubblicazione: (2022)

Unraveling the Corrosion Mechanism of Boro-Alumino-Phospho-Silicate Glass: Advanced Insights from Solid-State NMR Spectroscopy
di: Khan, Muhammad Amer, et al.
Pubblicazione: (2025)

Noise Reduction of Stochastic Density Functional Theory for Metals
di: Vu, Jake P., et al.
Pubblicazione: (2024)