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Pichierri Lab
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A lab that solves molecular reactions on computers to design new molecules.
AboutAbout the lab
Computational quantum chemistry and molecular design.
The Pichierri Lab applies computational quantum chemistry to the study of organic chemical reactions and the design of functional molecules.
When two molecules react, chemical bonds break and new bonds form in the product. The lab analyzes this basic mechanism in detail using quantum mechanics.
Studies of molecular structure and of weak interactions such as hydrogen bonds are also important aspects of this field.
In molecular design, the lab works on molecular machines, multi-metal redox systems, and artificial receptors, and also makes 3D-printed molecular models to discuss computational results.
Key terms
- Computational quantum chemistry
- A method that solves the equations of quantum mechanics on a computer to study the shapes of molecules and how reactions proceed.
- Hydrogen bond
- A weak attraction between molecules, formed with a hydrogen atom sitting between them.
- Rotaxane
- A molecule in which an axle passes through a ring. The ring can move along the axle.
ResearchResearch themes
The lab applies computational quantum chemistry to the study of organic chemical reactions and the design of functional molecules. It analyzes the process by which chemical bonds break and new ones form using quantum mechanics, and designs new molecules based on that understanding.
*Illustrative imageDesign of ion receptors
Ion receptors extract specific metal ions from water and help create a cleaner environment. The lab designs dynamic receptors with moving parts, such as rotaxanes and catenanes.
*Illustrative imageDesign of polyredox molecules
Polyredox molecules can store many electrons, making them, in effect, molecular batteries. Releasing the stored electrons can supply power to devices.
*Illustrative imageDesign of molecular machines
A molecular machine is a nanoscale mechanism that converts one form of energy into another. For example, it can convert light energy into mechanical energy. The lab aims to design machines that contribute to sustainable cities and society.
MembersFaculty
- ProfessorFabio Pichierri
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: “FuranELF” Silvi / CC BY-SA 4.0 (cropped)
- Design of ion receptors: “Rotaxane” Thingg⊕⊗ / CC BY-SA 3.0 (cropped)
- Design of polyredox molecules: “Alpha-Keggin Structure” SARANPHONG YIMKLAN / CC BY-SA 4.0 (cropped)
- Design of molecular machines: “Azobenzene-cis-3D-balls” Benjah-bmm27 / Public domain (cropped)
- Related lab (Hattori Lab): “Calixarene” Edgar181 / Public domain (cropped)
- Related lab (Iki Lab): “Europium (III) Hydroxide under UV light” Zlynkyx/Leo S / CC BY-SA 4.0 (cropped)
- Related lab (Kasai Lab): “EFluor Nanocrystal Vials” Travis.jennings / CC BY 3.0 (cropped)
- Related lab (Mitsuishi Lab): “Electrohydrodynamic instability patterning in a thin polymer film. 500x magnification reflected light” Claire Trease, Kingston University / CC BY-SA 4.0 (cropped)
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