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Quantum Materials Physics Lab
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The lab uses computer calculations to understand materials and design new ones.
AboutAbout the lab
Linking computation and experiment to design new materials
The Quantum Materials Physics Lab develops new materials using computational materials science methods that span scales from atoms to the macroscopic level.
The lab aims to link computation with experiment and theory to create new materials design methods that are not bound by existing theories.
Its goal is to understand from the fundamentals why materials have their properties, and to generate seeds for new uses of materials.
On the lab's website, it is presented under the name "Yoshiya Lab."
Key terms
- First-principles calculations
- A method for studying electronic states, chemical bonding, and elastic properties by calculation
- Molecular dynamics
- A computational method for studying the dynamic properties of materials, such as phase transformations, ion conduction, and thermal conduction
- Phase-field method
- A method based on thermodynamics for calculating how the microstructure of a material forms
NewsLab news
A doctoral student received an Outstanding Poster Award at GCIM2026
A doctoral student received an Outstanding Poster Prize at ICT2026
A master's student received an Excellent Poster Award at the Materials Properties Discussion Meeting
A student received the Best Poster Award at the 19th Solid State Ionics Seminar
A student received an Outstanding Contribution Award for a joint project with Panasonic conducted within a course
ResearchResearch themes
This lab uses computational materials science methods, which rely on computers, to investigate the electronic states and atomic arrangements that underlie the properties of materials. Working with experiment and theory, it creates materials design methods that are not bound by existing theories and advances the development of new materials. The description on the research page dates from around 2011.
*Illustrative imageMaterials research combining computation and experiment
The lab uses computation not as a substitute for experiment but as a powerful method to be combined with it. It analyzes experimental results in detail, understands mechanisms that cannot be seen in experiments, and predicts new phenomena that are later confirmed experimentally.
*Illustrative imageChoosing computational methods to suit the purpose
The lab chooses computational methods according to what it wants to know. First-principles calculations are used to study electronic states, chemical bonding, and elastic properties; molecular dynamics to study phase transformations, ion conduction, and thermal conduction; and the phase-field method to study the formation of material microstructures.
MembersFaculty
The members of the Quantum Materials Physics Lab (Yoshiya Lab) consist of faculty members, administrative assistants, visiting researchers, doctoral, master's, and undergraduate students, research students, and exchange students.As of 2026
- ProfessorMasato Yoshiya
VoicesStudent voices
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Report an errorAbout the images
The top and research theme images are illustrative and were not taken at the lab. They are cropped from Wikimedia Commons images. Cropped CC BY-SA images are provided under the same CC BY-SA license as the original (version shown on each line).
- Top image: “Uraninite crystal structure (Wyckoff 1963) polyhedra model crystallographic standard alignment” Ra'ike (Wikipedia) / CC0 (cropped)
- Materials research combining computation and experiment: “Transforming Gas into Fuels with Better Alloys” OLCF / CC BY 2.0 (cropped)
- Choosing computational methods to suit the purpose: “Summit Charts a Course to Uncover the Origins of Genetic Diseases” OLCF / CC BY 2.0 (cropped)
- Related lab (Materials Design and Process Engineering Lab): “FZU 3Dprinting 4” René Volfík / CC BY-SA 4.0 (cropped)
- Related lab (Micro Thermal Engineering Lab): “RAKON STP2734B LF OCXO Thermal Imaging” Mister rf / CC BY-SA 4.0 (cropped)
- Related lab (Solid Mechanics Lab): “The brittle fracture surface of low-carbon steel” DanilovVA / CC BY-SA 4.0 (cropped)
- Related lab (Plasma Engineering Lab [Joining and Welding Research Institute]): “US Air Force (USAF) Technical Sergeant (TSGT) Jeffrey Wright, Aircraft Metal Technician, 52nd Equipment Maintenance Squadron (EMS), uses plasma arc cutting torch to destroy a 30mm g - DPLA - 08156ad581284cc3e5ed4337a5cb0c55” Department of Defense. American Forces Information Service. Defense Visual Information Center. 1994 / Public domain (cropped)
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