Terumasa Tadano is a principal researcher of materials science at National Institute for Materials Science, Japan. His research interests include development of computational methods and softwares for predicting thermal properties of solids, anharmonicity of phonons, and application of machine-learning methods to materials science study.
Interests
- Computational Materials Science
- Anharmonicity of Lattice Vibration
- Carrier and Energy Transport
- Software Development
Education
PhD in Physics, 2013
University of Tokyo
MSc in Physics, 2010
University of Tokyo
BSc in Physics, 2008
Keio University
Latest
- 有限温度における構造最適化法の開発とニッケル酸化物超伝導体への応用
- Ab initio structure optimization at finite temperatures: Code development and application to La3Ni2O7
- Anharmonic lattice dynamics and thermal transport in type-I clathrates studied by first-principles calculation
- Control of covalent bond enables efficient magnetic cooling
- Finite-temperature $textitab initio$ structural optimization of the bilayer nickelate superconductor La$_3$Ni$_2$O$_7$
- Mechanism of solid ammonia stabilization at ambient temperature: Insights from thermodynamics, phonon calculation, and micromechanics
- First-Principles and Data-Driven Approaches for the Computational Design of Functional Heusler Alloys
- Phonon Olympics: Phonon property and lattice thermal conductivity benchmarking from open-source packages
- ハイスループット第一原理計算と機械学習による機能性ホイスラー合金の探索
- 非調和フォノン計算を活用した相転移温度の非経験予測
- High-throughput computational screening of Heusler compounds with phonon considerations for enhanced material discovery
- Simultaneous achievement of large anomalous Nernst effect and reduced thermal conductivity in sintered polycrystalline topological Heusler ferromagnets
- Accurate screening of functional materials with machine-learning potential and transfer-learned regressions: Heusler alloy benchmark
- Strong phonon scattering and enhanced thermoelectric performance in SrTiO$_3$ polycrystals by simultaneous hydrogen substitution and oxygen vacancy formation
- Electron-phonon coupled Langevin dynamics for Mott insulators
- Theoretical investigations of anharmonic effects and phonon transport in the cubic phase of crystalline perovskite CsPbCl3
- Phonon-phonon scattering and thermal transport in Heusler alloys: A first-principles high-throughput investiagtion
- Database and deep-learning scalability of anharmonic phonon properties by automated brute-force first-principles calculations
- Exploration of functional Heusler alloys for energy harvesting applications: a high-throughput first-principles study
- Deep-learning neural network potentials for titanate perovskites
- Emergence of superconductivity at 20 K in Th$_3$P$_4$-type in$_{3–x}$S$_4$ synthesized by Diamond anvil cell with boron-doped Diamond electrodes
- 第一原理計算とデータ駆動手法による機能性ホイスラー合金の探索
- Nonequilibrium layered PbS stabilized by Sn doping: Bipolar semiconductors with low thermal conductivity
- 第一原理計算を用いた熱伝導・電気伝導予測の前線
- Simulating structural change and phase transitions at finite temperatures: A phonon-based approach
- Computational Exploration of Functional Materials at Finite Temperatures
- ハイスループット第一原理計算によるホイスラー合金の物性マップ構築
- Continuous crossover between insulating ferroelectrics and the polar metals: textitAb initio calculation of structural phase transitions of Li$B$O$_3$ ($B$ = Ta, W, Re, Os)
- 計算科学とデータ駆動による磁性材料開発
- フォノン計算を用いた有限温度構造の第一原理計算
- Chemical-substitution-driven giant anomalous Hall and Nernst effects in magnetic cubic Heusler compounds
- Large anomalous Hall effect in spin fluctuating devil's staircase
- Terahertz electric-field-driven dynamical multiferroicity in SrTiO$_3$
- Inverse-Perovskite Ba$_3$BO (B = Si and Ge) as a High Performance Environmentally Benign Thermoelectric Material with Low Lattice Thermal Conductivity
- Epitaxy and transport properties of alkali-earth palladate thin films
- ハライドペロブスカイトにおける高次非調和効果の第一原理解析
- 非調和フォノン理論が拓く有限温度物性の第一原理計算
- Theoretical study of the effect of lattice dynamics on the damping constant of FePt at finite temperature
- Magnetic characterization of Sm(Fe1-x, Cox)11Ti (x = 0, 0.1) determined by heat-capacity measurement from very low to high temperatures
- Charge transport and thermopower in the electron-doped narrow gap semiconductor Ca$_{1-x}$La$_x$Pd$_3$O$_4$
- 非調和フォノン理論に基づいた有限温度における結晶構造の第一原理計算
- First-principles prediction of phase transition of YCo$_5$ from self-consistent phonon calculations
- Limits of the phonon quasi-particle picture at the cubic-to-tetragonal phase transition in halide perovskites
- 第一原理フォノン計算を用いた有限温度における構造最適化
- Alleviating Defect and Oxidation in Tin Perovskite Solar Cells Using a Bidentate Ligand
- Impact of quartic anharmonicity on lattice thermal transport in EuTiO$_3$: A comparative theoretical and experimental investigation
- Implementation strategies in phonopy and phono3py
- Full optimization of quasiharmonic free energy with an anharmonic lattice model: Application to thermal expansion and pyroelectricity of wurtzite GaN and ZnO
- Hydride anion substitution boosts thermoelectric performance of polycrystalline SrTiO $_3$ via simultaneous realization of reduced thermal conductivity and high electronic conductivity
- Lattice dielectric properties of rutile TiO$_2$: First-principles anharmonic self-consistent phonon study
- Reversible Thermal Conductivity Modulation of Non-equilibrium (Sn$_{1-x}$Pb$_x$)S by 2D--3D Structural Phase Transition above Room Temperature
- Ab initio structural optimization at finite temperatures based on anharmonic phonon theory: Application to the structural phase transitions of BaTiO$_3$
- First-Principles Phonon Quasiparticle Theory Applied to a Strongly Anharmonic Halide Perovskite
- Interfacial embedding for high‐efficiency and stable methylammonium‐free perovskite solar cells with fluoroarene hydrazine
- Electronic and lattice thermal conductivity switching by 3D−2D crystal structure transition in nonequilibrium (Pb$_{1−x}$Sn$_x$)Se
- Exciton-Phonon and Trion-Phonon Couplings Revealed by Photoluminescence Spectroscopy of Single CsPbBr3 Perovskite Nanocrystals
- Ab initio calculation of phonons and crystal structures at finite temperatures: A self-consistent phonon approach
- Anharmonic phonon renormalization and thermal transport in the type-I Ba$_8$Ga$_{16}$Sn$_{30}$ clathrate from first principles
- LO-mode phonon of KCl and NaCl at 300 K by inelastic x-ray scattering measurements and first principles calculations
- First-principles calculations of phonons and crystal structures at finite temperatures
- 自己無撞着フォノン理論による構造相転移温度の第一原理計算
- Degenerated Hole Doping and Ultra-Low Lattice Thermal Conductivity in Polycrystalline SnSe by Nonequilibrium Isovalent Te Substitution
- フォノン計算を活用した熱伝導の非経験予測
- Lattice dynamics and its effects on magnetocrystalline anisotropy energy of pristine and hole-doped YCo$_5$ from first principles
- Anharmonic Grüneisen theory based on self-consistent phonon theory: Impact of phonon-phonon interactions neglected in the quasiharmonic theory
- Descriptors of intrinsic hydrodynamic thermal transport: screening a phonon database in a machine learning approach
- Breaking of Thermopower-Conductivity Trade-Off in LaTiO$_3$ Film around Mott Insulator to Metal Transition
- Crucial role of interfacial $s−d$ exchange interaction in the temperature dependence of tunnel magnetoresistance
- Large phonon drag thermopower boosted by massive electrons and phonon leaking in LaAlO$_3$/LaNiO$_3$/LaAlO$_3$ heterostructure
- Extending first-principles structural optimization method to finite temperatures
- Anharmonic organic cation vibrations in the hybrid lead halide perovskite CH$_3$NH$_3$PbI$_3$
- Lattice dynamics effects on finite-temperature stability of $R_{1−x}$Fe$_x$ ($R$ = Y, Ce, Nd, Sm, and Dy) alloys from first principles
- Luminescence fine structures in single lead Halide perovskite nanocrystals: Size dependence of the exciton--phonon coupling
- Ab initio derivation of low-energy Hamiltonians for systems with strong spin-orbit interaction: Application to Ca5Ir3O12
- Ab initio phonon calculation at finite temperature toward computational exploration of metastable phases
- Evolutionary search for cobalt-rich compounds in the yttrium-cobalt-boron system
- Exploring diamondlike lattice thermal conductivity crystals via feature-based transfer learning
- RESPACK: An ab initio tool for derivation of effective low-energy model of material
- Reversible 3D-2D structural phase transition and giant electronic modulation in nonequilibrium alloy semiconductor, lead-tin-selenide
- Effect of Halogen Ions on the Low Thermal Conductivity of Cesium Halide Perovskite
- 高圧下ランタン水素化物LaH$_{x}$における原子核の量子ゆらぎと超伝導
- ニッケル酸化物新超伝導体の発見：現状と展望
- Anharmonic lattice dynamics and thermal transport of monolayer InSe under equibiaxial tensile strains
- 原子核の量子ゆらぎが支える高圧下LaH$_{10}$の高温超伝導
- Enargite Cu$_3$PS$_4$ : A Cu--S‐based thermoelectric material with a wurtzite‐derivative structure
- Anharmonicity Explains Temperature Renormalization Effects of the Band Gap in SrTiO$_3$
- 非調和効果を取り込める新しいフォノン計算ツールの開発
- 第一原理フォノン計算の前線：非調和効果と電子格子相互作用
- Materials design of dynamically stable $d^9$ layered nickelates
- Quantum crystal structure in the 250-kelvin superconducting lanthanum hydride
- 非調和フォノン物性の第一原理計算
- Phonon lifetime and thermal transport in complex thermoelectric clathrates and tetrahedrites from first principles
- Phonon anharmonicity and thermal transport in complex thermoelectric materials from first principles
- Development and application of ALAMODE software
- Formation of a two-dimensional single-component correlated electron system and band engineering in the nickelate superconductor NdNiO2
- Phonon anharmonicity from first principles
- Ab initio phonon calculations of strongly anharmonic solids
- First-principles study of phonon anharmonicity and negative thermal expansion in ScF$_3$
- クラスレートのフォノンと熱伝導の第一原理解析
- Efficient ab initio prediction of thermal properties of solids assisted by machine learning
- $\textit{Ab initio}$ derivation of effective Hamiltonian for La$_2$CuO$_4$/La$_{1.55}$Sr$_{0.45}$CuO$_4$ heterostructure
- Ab initio prediction of structural phase-transition temperature of SrTiO$_3$ from finite-temperature phonon calculation
- First-principles calculation of thermophysical properties of solids with strong phonon anharmonicity
- 第一原理からの有限温度フォノン計算：手法開発とエネルギー材料への応用
- 第一原理からの熱伝導・相安定性予測：フォノンの精密な取り扱い
- Ab initio lattice dynamics methods for modeling strong phonon anharmonicity in solids
- フォノンの非調和効果の高精度・高効率計算
- First-Principles Lattice Dynamics Method for Strongly Anharmonic Crystals
- フォノンと格子熱伝導率の第一原理計算
- Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles
- Microscopic origin of anomalous thermal transport in intermetallic clathrates: A first-principles study
- Understanding the role of quartic anharmonicity in solids using first-principles lattice dynamics
- 第一原理計算によるフォノンの非調和効果の予測と解析
- Thermal conductivity of type-I, type-II, and type-VIII pristine silicon clathrates: A first-principles study
- 第一原理からの非調和フォノンと格子熱伝導
- 第一原理計算でのフォノンの非調和性の取り扱い
- Empirical interatomic potentials optimized for phonon properties
- Thermal conductivity and lattice anharmonicity from first principles: Theoretical developments and applications
- 非調和フォノン物性の第一原理計算：プログラム開発とマテリアルズインフォマティクスへ向けた取り組み
- First-principles modeling of phonon transport and lattice anharmonicity in energy harvesting materials
- Thermal conductivity and lattice anharmonicity of materials from first-principles calculations
- 第一原理フォノン伝導計算：その最前線とポスト｢京｣/マテリアルズインフォマティクス時代への展望
- Effect of Van Hove singularities on high-Tc superconductivity in H3S
- Self-consistent phonon calculations of lattice dynamical properties in cubic SrTiO$_3$ with first-principles anharmonic force constants
- Impact of rattlers on thermal conductivity of a thermoelectric clathrate: a first-principles study
- First-principles analysis of anharmonic nuclear motion and thermal transport in thermoelectric materials
- Anharmonic force constants extracted from first-principles molecular dynamics: applications to heat transfer simulations
- Non-equilibrium heat transfer simulation with first-principles anharmonic lattice model