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Anharmonicity
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Anharmonicity
RIS
0.004
(Research Intensity Score)
Papers
554
Top papers
High figure-of-merit and power generation in high-entropy GeTe-based thermoelectrics
2022 · 715 citations
Unravelling ultralow thermal conductivity in perovskite Cs2AgBiBr6: dominant wave-like phonon tunnelling and strong anharmonicity
2024 · 108 citations
Anomalous High‐Temperature Superconductivity in YH 6
2021 · 454 citations
Understanding Defects in Perovskite Solar Cells through Computation: Current Knowledge and Future Challenge
2024 · 74 citations
Strong Antibonding I (p)–Cu (d) States Lead to Intrinsically Low Thermal Conductivity in CuBiI 4
2023 · 118 citations
Electron-phonon interactions in halide perovskites
2022 · 159 citations
Anomalous thermal transport under high pressure in boron arsenide
2022 · 98 citations
Unified theory of thermal transport in crystals and glasses
2019 · 595 citations
Thermal transport and phase transitions of zirconia by on-the-fly machine-learned interatomic potentials
2021 · 156 citations
Newest papers
Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
2026 · 4 citations
Phonon-driven wavefunction localization enhances room-temperature single-photon purity in large hybrid lead halide perovskite quantum dots
2026 · 3 citations
Roadmap for electronic structure, anharmonicity, and electron-phonon calculations in locally disordered inorganic and hybrid halide perovskites
2026 · 3 citations
Theoretical investigation on thermoelectric properties of layered LiCuS: Mechanism of antibonding-state-induced anharmonicity and the role of four-phonon scattering
2026 · 3 citations
Analytic Energy Gradients of Constrained Nuclear-Electronic Orbital Second-Order Møller-Plesset Perturbation Theory with Electron-Electron Correlation
2026
Quantitative Kineticsof Iodide Reactions: MethodDevelopment and Insights into Higher-Order Coupled-Cluster Excitations
2026
Anisotropic thermal transport and thermoelectric properties of hexagonal LiSr X ( X = As, Sb, Bi)
2026
I2O2: High level theoretical studies and a benchmark of DFT functionals
2026
The structural and dynamical stability of BeF2 at finite temperatures studied by machine learning molecular dynamics
2026
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