News

CSC and Aalto University team up to create a physicist AI

The Aalto research group Computational Electronic Structure Theory CEST granted 8M core hours from CSC – IT Center for Science
The incoming laser beam represents the spectroscopy process as it would proceed in an experiment in which the molecule in the center is excited by the beam. In the CSC Grand Challenge project the group calculated these excitation spectra with quantum mechanical methods. The resulting spectral data is symbolized by the 1s and 0s and is stored in a large molecular database for further processing with machine learning.

The CEST group will construct an AI that learns from the plethora of
spectroscopic data already available in databases. Once trained, the
AI can make predictions of spectra instantly and at no further cost.
The CSC Grand Challenge award of 8M computer hours will allow the group to
create test spectroscopy datasets for developing, training and
testing the AI before it is ready for large-scale applications.

Spectroscopy probes the interaction between radiation and matter. It
is the primary method to scientifically study the laws of nature,
discover new phenomena and characterize the properties of substances
or materials.

Conventional spectroscopies are slow and expensive, often requiring
large facilities such as synchrotrons or supercomputers. In the
Department of Applied Physics, CEST run the "Artificial Intelligence
for Spectroscopy” project that employs deep learning neural
network-based artificial intelligence (AI) methods to harvest the
wealth of spectroscopic data that has already been recorded.

When deployed, AI spectroscopy would complement conventional
spectroscopy to greatly accelerate the analysis of materials, and
suggest better candidate materials to boost existing technologies
based around light absorption. For example, it could help design
more effective optical coatings or increase the power conversion
rates in solar cells.

 

More information:

Patrick Rinke, professor

[email protected]

  • Published:
  • Updated:
Share
URL copied!

Related news

Research & Art Published:

EIT Climate-KIC supported Ioncell directly offers an innovation that regenerates fibres, while enabling them to be recyclable and biodegradable.

Ioncell, conceptualised out of Aalto University, provides a closed-loop technology to regenerate cellulosic fibres without using harmful chemicals.
media lab demo day
Research & Art Published:

Xmas Demo Day 2019 in photos

Collection of photos from the latest Demo Day organized on the 5th of December 2019.
arkkitehdit Philip Tidwell, Kristo Vesikansa ja Laura Berger seisovat katsoen kameraan
Appointments, Cooperation, Research & Art Published:

Finland’s exhibition in the Biennale Architettura 2020 honors the Finnish prefabricated wooden houses of the WWII era

The exhibition will be conceived and curated by three researchers and teachers at Aalto University.
Quantum Garden
Research & Art Published:

Making understanding quantum computers easier

IBM collaborates with Professor Sabrina Maniscalco and her group to develop new transformative tools for teaching and outreach about quantum technologies