:: Library Catalog

Cover Image

Saved in:

Bibliographic Details
Main Authors:	Nagaya, Rei, Omatsu, Haruki, Packwood, Daniel M.
Format:	Preprint
Published:	2024
Subjects:	Materials Science
Online Access:	https://arxiv.org/abs/2401.07416
Tags:	Add Tag No Tags, Be the first to tag this record!

Similar Items

Can it be detected? A computational protocol for evaluating MOF-metal oxide chemiresistive sensors for early disease detection
by: Nurhuda, Maryam, et al.
Published: (2024)

Frequency-dependent stress response under thermal cycle: A thermal-crystal plasticity and dynamic mode decomposition study
by: Ohashi, Haruki, et al.
Published: (2026)

Robust and effective ab initio molecular dynamics simulations on the GPU cloud infrastructure using the Schrödinger Materials Science Suite
by: Fonari, Alexandr, et al.
Published: (2024)

Geometric theory of constrained Schrödinger dynamics with application to time-dependent density-functional theory on a finite lattice
by: Cancès, Eric, et al.
Published: (2026)

Efficient implementation of the quasiparticle self-consistent $GW$ method on GPU
by: Obata, Masao, et al.
Published: (2025)

Efficient time dependent Wannier functions for ultrafast dynamics
by: Le, Cristian M., et al.
Published: (2024)

Classification of time-reversal symmetric topological superconducting phases for conventional pairing symmetries
by: Ono, Seishiro, et al.
Published: (2022)

MICROSIM: A high performance phase-field solver based on CPU and GPU implementations
by: Dutta, Tanmay, et al.
Published: (2024)

Self-Limiting Mechanism of Anti-Stokes Optical Cooling in Diamond NV Centers
by: Manaka, Haruki, et al.
Published: (2026)

Composition-dependent ultrafast luminescence in Cu-Ni alloys: Combined experimental and ab initio study
by: Suemoto, Tohru, et al.
Published: (2025)

fair_data.py: implementing FAIR data compliance in Tribchem
by: Berghenti, Lucrezia, et al.
Published: (2025)

Tunable magnetism in 2D organic-ion-intercalated MnPS3 via molecule-dependent vacancy generation
by: Tezze, Daniel, et al.
Published: (2025)

Efficient all-electron Bethe-Salpeter implementation using crystal symmetries
by: Stöhler, Jörn, et al.
Published: (2026)

Characterizing MRO in atomistic models of vitreous SiO$_2$ generated using ab-initio molecular dynamics
by: Jena, Sruti Sangeeta, et al.
Published: (2023)

Spontaneous formation of Frenkel defects in high-entropy-alloys-type compound
by: Ishikawa, Rikuya, et al.
Published: (2024)

Projectively implemented altermagnetism in an exactly solvable quantum spin liquid
by: Neehus, Avedis, et al.
Published: (2025)

A molecular dynamics investigation of the dependence of mechanical properties of steel nanowires on C concentration
by: Liyanage, J. K., et al.
Published: (2025)

The line bundle regime and the scale-dependence of continuum dislocation dynamics
by: Anderson, Joseph Pierre, et al.
Published: (2025)

Cooperative Ion Conduction Enabled by Site Percolation in Random Substitutional Crystals
by: Ishikawa, Rikuya, et al.
Published: (2025)

Temperature-dependent vibrational EELS simulations with nuclear quantum effects
by: He, Zuxian, et al.
Published: (2026)

Weiner's theory for exactly solvable Schrödinger equation with symmetric double well potential
by: Sitnitsky, A. E.
Published: (2026)

Temperature-dependent dynamic nuclear polarization of diamond
by: von Witte, Gevin, et al.
Published: (2024)

Direct observation of cation-dependent polarisation switching dynamics in fluorite ferroelectrics
by: Ooe, Kousuke, et al.
Published: (2025)

A space-time gauge theory for modeling ductile damage and its NOSB peridynamic implementation
by: Kumar, Sanjeev
Published: (2024)

Peridynamic modeling of the crack velocity dependence via an incubation time fracture criterion
by: Ignatev, M., et al.
Published: (2026)

High dynamic-range quantum sensing of magnons and their dynamics using a superconducting qubit
by: Rani, Sonia, et al.
Published: (2024)

X-ray and molecular dynamics study of the temperature-dependent structure of molten NaF-ZrF4
by: Wadehra, Anubhav, et al.
Published: (2024)

Triplet Exciton Sensitization of Silicon Mediated by Defect States in Hafnium Oxynitride
by: Nagaya, Narumi, et al.
Published: (2024)

Optimizing the depth-dependent nitrogen-vacancy center quantum sensor in diamane
by: Li, Pei, et al.
Published: (2025)

Yb 4f-Ta 5d Hybridization and Valence Evolution in Tetragonal Tungsten Bronze Ba(3-x)YbxTa5O15
by: Takegami, Daisuke, et al.
Published: (2025)

Efficient method for magnetic structure exploration based on first-principles calculations: application to MnO and hexagonal ferrites SrFe$_{12}$O$_{19}$
by: Fukazawa, Taro, et al.
Published: (2025)

Defect dependent dynamic nanoindentation hardness of copper up to 25 000 s-1
by: Holz, Hendrik, et al.
Published: (2026)

Angle-dependent resonant dynamics of stripes and skyrmions in Re/Co/Pt multilayers
by: Jena, Sukanta Kumar, et al.
Published: (2025)

Reciprocal space temperature-dependent phonons method from ab-initio dynamics
by: Garba, Ibrahim Buba, et al.
Published: (2023)

Kohn-Sham-Proca equations for ultrafast exciton dynamics
by: Dewhurst, J. K., et al.
Published: (2024)

Fast and Scalable GPU-Accelerated Quantum Chemistry for Periodic Systems with Gaussian Orbitals: Implementation and Hybrid Density Functional Theory Calculations
by: Wang, Yuanheng, et al.
Published: (2024)

Efficient prediction of highly anisotropic excitonic properties in the layered antiferromagnet CrSBr via time-dependent density functional theory
by: Ramasubramaniam, Ashwin, et al.
Published: (2026)

Fast low-temperature irradiation creep driven by athermal defect dynamics
by: Feichtmayer, Alexander, et al.
Published: (2024)

Density dependence of thermal conductivity in nanoporous and amorphous carbon with machine-learned molecular dynamics
by: Wang, Yanzhou, et al.
Published: (2024)

A generative material transformer using Wyckoff representation
by: De Breuck, Pierre-Paul, et al.
Published: (2025)