2021.12.1
Pirika has been advocating Web top Computing since it started in 1999.
But I’m not interested in anything but chemistry.
I’m doing a major overhaul of pirika.com as I retire in 2020, so please bear with me if there are a lot of broken links.
Due to the fact that I started Pirika.com when I was seconded to Tsukuba and was developing a CFC alternative, I have always thought about the following in pairs.
- Predicting the physical properties of CFC substitutes with new structures (property estimation)
- Create a CFC substitute structure with desired physical properties (reverse design)
Physical Chemistry
Aside from practical research at Tsukuba, Pirika deals with a wide range of property chemistry, not just halogen chemistry in particular. There are not many commodity chemicals where you can find completely new compounds.
However, in the case of pharmaceuticals and specialty chemicals, the complexity increases with the combination of various functional groups and mixtures.
At that time, physical chemistry is an important field of study in order to reexamine the meaning of functional groups.
(Information Chemistry)
Multivariate analysis programs, neural network methods and genetic algorithms are important tools for information chemistry, and they have been moved to this page.
Polymer Chemistry
I used to be a synthetic polymer chemist.
I have always thought that small molecules are a boring field where all the physical properties are determined as soon as the structure is determined.
The polymer field, where there is room to devise ways to satisfy two contradictory physical properties, is my favorite field.
Chemical Engineering
In order for something created in a laboratory to spread to the market, chemical engineering is inevitably necessary.
In addition, in order to perform chemical engineering, we need to know the physical properties of the materials we are working with.
Therefore, physical chemistry and chemical engineering are closely related to each other.
(Information Chemistry + Education / MOOC)
Let’s combine physical chemistry and chemical engineering with information chemistry so that we can design materials by ourselves.
We have also created a MOOC page for this purpose.
Other Chemistry
I have studied molecular orbital methods, molecular mechanics, and molecular dynamics under Professor Goddard at Calfornia Institute of Technology.
However, my basic stance is that computer science is also an object to be combined with information chemistry.
Mail: yamahiroXpirika.com (change X to @) Please start Subjects with [pirika]