News

AI research in the CEST group receives funding for Bayesian Optimization of Structure Search

Jukka Corander, Milica Todorovic and Patrick Rinke receive funding from the Academy of Finland for their Artificial Intelligence for Microscopic Structure Search (AIMMS) project. In AIMSS they will couple machine learning with quantum mechanics to advance structure prediction of organic-inorganic hybrid systems.

Functional hybrid materials are engineered blends of organic molecules and inorganic crystals that harness and enhance the functional properties of both substances to perform specific functions for novel applications and devices. To control and engineer the functionality of these hybrid materials, we must better understand their microscopic structural details. In the Artificial Intelligence (AI) for Microscopic Structure Search (AIMSS) project we develop AI methodology and combine it with quantum mechanical simulations. The AI technology in our combined framework provides an essential efficiency breakthrough that enables us to predict, for the first time, the microscopic structure of organic-inorganic hybrid materials. We showcase AIMSS for two flagship applications related to key technologies: nanofriction and hybrid optoelectronics.

 

 

 

Caption: AIMSS combines quantum mechanics and machine learning to leap from our current state of the art of simulating one molecule adsorbed on a surface to complex molecular ensembles, such as the dicyano-anthracene CU network depicted on the right.

  • Published:
  • Updated:
Share
URL copied!

Related news

Suomessa kehitettiin tekoäly, joka ymmärtää paremmin ihmisen tavoitteita
Research & Art Published:

Designing AI that understands humans’ goals better

To make a better smart assistant, we need an AI that understands its user and does not constantly need detailed instructions
Oniipa
Research & Art Published:

Researchers are importing electricity and internet connections to a Namibian village – required technology can be transported in a pickup

The initiative to be piloted on Independence Day seeks to aid the everyday lives of people in small communities while creating a framework for businesses.
Polymer film that bends when light is shone on it
Research & Art Published:

Liquid crystal polymer learns to move and grab objects

Researchers trained material the same way as Pavlov trained dogs.
Veronika Honkasalon puku
Cooperation, Research & Art Published:

Member of Parliament Veronika Honkasalo’s independence day dress reflects feminism and ecological values

Aalto University FaCT MA student Heidi Karjalainen has designed MP Veronika Honkasalo’s (Left Alliance) dress for the President’s Independence Day Reception 2019.