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Numerical Materials Research Laboratory (NML)

Owing to the continuous advances in computational methods and high-performance computing resources, simulations in computational materials science have not only contributed to fundamental science, such as elucidating quantum critical phenomena, but also have enabled highly accurate descriptions of real materials relevant to industrial applications. Furthermore, with the introduction of data-driven approaches, including machine learning, the scope of applications for numerical data generated through simulation and data science has expanded dramatically. Against this backdrop of innovation in both computing and simulation, our institute will deepen the methodological foundations of computational condensed-matter science and promote research and development of advanced computational methods and software that contribute to materials design and functional exploration. In particular, we will develop and apply innovative methodologies for large-scale simulations and data-driven science, with the aim of enhancing the precision of computational condensed-matter science and expanding its applicability. In addition, by introducing and operating the Institute for Solid State Physics supercomputer that underpins these foundations, and by cultivating highly specialized human resources who will lead the next generation of research and contribute to the advancement of the field, our institute will serve as a hub for the national computational materials science community and play a central role as a core center in computational materials science.

Member(*Leader) Research Subjects
KAWASHIMA, Naoki
Professor
Group's HP
  1. Statistical mechanical models
  2. Numerical methods for many-body physics
  3. General theory of critical phenomena
  4. Computational complexity in condensed matter physics
MISAWA, Takahiro
Project Associate Professor
Group's HP
  1. Development of numerical methods for quantum many-body systems
  2. Quantum transport phenomena in topological materials
  3. Quantum spin liquid・High-Tc superconductivity
  4. Data-driven research for strongly correlated electron systems
NOGUCHI, Hiroshi
Associate Professor
Group's HP
  1. Non-equilibrium dynamics of biomembrane 
  2. Shape transformation of cells and lipid vesicles 
  3. Dynamics of complex fluids 
  4.  Self-organization of active matter
OZAKI, Taisuke
Professor
Group's HP
  1. Development of efficient methods and algorithms for first-principles electronic structure calculations
  2. Development of the OpenMX software package
  3. Development of first-principles methods for X-ray spectroscopies
  4. First-principles calculations of surfaces and two-dimensional structures
SUGINO, Osamu
Professor
Group's HP
  1. Understanding electron transfer reactions in materials using a non-equilibrium statistical mechanics approach
  2. Quantum states of hydrogen and muon in a material
  3. Electron-phonon couplings from first principles
  4. First-principles simulation of superconductors
Supercomputer Center
Supercomputer Center
Center's HP
Members holding a concurrent position
INUI, Koji
Project Associate Professor
Group's HP
Main; Division of Data-Integrated Materials Science
KATO, Takeo
Associate Professor
Group's HP
Main; Division of Condensed Matter Theory
TODO, Synge
Professor
Main; School of Science