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Quantum Chemistry Lab
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A physical chemistry lab that uses theory to uncover the quantum dynamics inside molecules and materials.
AboutAbout the lab
Capturing quantum dynamics inside molecules through theory
The Quantum Chemistry Lab theoretically studies the quantum dynamics that occur in molecules and materials, from the perspective of physical chemistry.
The lab deals with the quantum dynamics of molecules and materials and their nonlinear optical response when exposed to light.
It also works on developing density functional theory, which calculates electronic states, and on the theory of quantum spectroscopic measurements.
Key terms
- Quantum Dynamics
- How the state of extremely small things, such as atoms and electrons, changes over time according to quantum mechanics
- Nonlinear Optical Response
- A phenomenon in which, when strong light is applied, the response of a material is no longer proportional to the intensity of the light
- Density Functional Theory
- A theory that calculates the properties of molecules and materials from how electrons are distributed in space (the electron density)
- Quantum Entanglement
- A relationship unique to quantum mechanics in which the states of two separated particles are linked, so that measuring one also determines the other
ResearchResearch themes
From the perspectives of physical chemistry and quantum biophysics, the lab studies the quantum dynamics that occur in molecules and materials, as well as their nonlinear response to light. It also develops theories such as density functional theory and conducts theoretical research on quantum spectroscopic measurements.
*Illustrative imageQuantum Dynamics of Molecules and Materials
From the perspectives of physical chemistry and quantum biophysics, the lab studies quantum dynamical phenomena occurring in molecules and materials, as well as nonlinear optical response phenomena.
*Illustrative imageDevelopment and Application of Density Functional Theory
Based on the theory of density equations, the lab develops exact density functional theory (DFT) and its time-dependent extension (TDDFT). It also works on the development and application of time-dependent multiconfigurational wave function methods.
*Illustrative imageTheory of Quantum Spectroscopic Measurements
The lab theoretically studies the quantum dynamics of molecular systems and quantum spectroscopic measurements. Key topics are nonlinear optical response and entangled photons.
MembersFaculty
- ProfessorAkihito IshizakiPublications ↗
- Associate ProfessorTsuyoshi KatoPublications ↗
- Assistant ProfessorKana Yamada
- Project Assistant ProfessorYuta FujihashiPublications ↗
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: “Laser lab ( )” Maximilian Paradiz from Amsterdam, Netherlands / CC BY 2.0 (cropped)
- Quantum Dynamics of Molecules and Materials: “Studying water” Pawel Nowakowski / CC BY-SA 4.0 (cropped)
- Development and Application of Density Functional Theory: “C60 isosurface” Itamblyn / CC BY-SA 4.0 (cropped)
- Theory of Quantum Spectroscopic Measurements: “Spdc II 3D model EN” JozumBjada / CC BY-SA 4.0 (cropped)
- Related lab (Quantum Frontier Lab (Yamanouchi Lab)): “OPA produced femtosecond UV laser beam” Abdullahkepceoglu / CC BY-SA 4.0 (cropped)
- Related lab (Spectral Chemistry Research Center): “Aust.-Synchrotron-Soft-X-ray-Beamline-Experimental-Station” jjron / CC BY-SA 3.0 (cropped)
- Related lab (Yanai Lab): “Pentacene molecule spacefill from xtal” Jynto (more from this user) / CC0 (cropped)
- Related lab (Goda Lab): “Lab on a Chip ( )” National Institute of Standards and Technology / Public domain (cropped)
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