André Kelkkanen

Innovation Advisor at Innovationskontor Väst

I help researchers with Innovation at Chalmers.

Responsible for Licensing support and early Patent development, see folder below.

I Work with Verification grants. If you really want to utilize your idea, and need money and/or advice for it, give me a call!

If you want to discuss ideas, commercialization, utilization, patents,... Give me a call and let's have coffee (we have a great coffee machine).
Currently not doing much research, but here is what I used to do:

Graphene:
I did Density Functional Theory (DFT) calculations to investige the nature of the Graphene-substrate bond. This was useful since many of graphenes fantastic properties risks being ruined when graphene adsorbs covalently to a surface. So, when making transistors it is great to know how the graphene band structure will change with your choice of substrate. At the time, the state of the art DFT lacked proper implementation of van der Waals forces, which I helped to implement and test.

Potential impact for community?
Well the long term aim was to make simulation tools good enough to simulate graphene and its interaction with other stuff. You could use it to simulate cool systems and see it if was possible to design it. 

And use for normal people?
Computers.... Faster computers with longer battery time....

graphene.png
It might seem odd today, but at one time people actually wanted to make carbon nano tubes of graphene! The idea we had was to simply roll a sheet of graphene into a nice Carbon Nano Tube. Today, graphene is too nice to make CNT:s of :-)


 
Liquid Water:
Did molecular dynamics simulations using Density Functional Theory (DFT) calculations to investigate the structure of liquid water. You would think that something as abundant as liquid water was figured out to the last detail, right? Wrong! Water is actually a very non-typical substance with many anomalies (one being that it's density is highest at 4 deg C). Using the implementation of van der Waals forces in DFT, I worked with some collegues to figure out if we could improve the existing models and explain some of these anomalies.

Potential impact for community?
People in the field are currently debating a lot if water is a one structured liquied, or a two structure liquid with two competing structures. We wanted to help out in this issue. We think the latter.

And use for normal people?
Drugs. If you want to design drugs and how they work in the human body, you neeed to be able to simulate water.

hexamers.png
Here is four water isomers. The relevant and important question is which one of them that is most stable. Interestingly, inclusion of van der Waals forces changes this a lot, making the ice like cyclic structure the least stable, rather than most stable.

More on the amazing properties of water for example here:
http://www1.lsbu.ac.uk/water/water_anomalies.html


 
Density Functional Theory:
Typically, solving the many body Shrödinger Equation is too much work to do, even for super computers. Since we still want to do it, we introduce some approximations that makes the equation simpler to solve. Density Functional Theory is a formalism which in theory can give an exact solution to this equation, but in practice makes a bunch of approximations (such as how will the local electron interact with its fellow electrons?). Trouble is that if we make too many approximations, we don't get anything useful, and if we make to complex approximations we have to sit and wait for months for the computers to get done.
 
I worked with method development in DFT, togheter with several collegues. Most of the work involved testing existing approximations and then implement them in code so that they could be executed efficiently.

More on the particular approximation i worked with here:
http://fy.chalmers.se/~schroder/vdWDF/


And more about the DFT implementation i worked with here:
https://wiki.fysik.dtu.dk/gpaw/

 
Publications:
 
A density functional for sparse matter
By: Langreth, D. C.; Lundqvist, B. I.; Chakarova-Kack, S. D.; et al.
JOURNAL OF PHYSICS-CONDENSED MATTER  Volume: 21   Issue: 8     Article Number: 084203   Published: FEB 25 2009
 
Evaluation of a density functional with account of van der Waals forces using experimental data of H-2 physisorption on Cu(111)
By: Lee, Kyuho; Kelkkanen, Andre K.; Berland, Kristian; et al.
PHYSICAL REVIEW B  Volume: 84   Issue: 19     Article Number: 193408   Published: NOV 17 2011
 
RPBE-vdW Description of Benzene Adsorption on Au(111)
By: Wellendorff, Jess; Kelkkanen, Andre; Mortensen, Jens Jorgen; et al.
TOPICS IN CATALYSIS  Volume: 53   Issue: 5-6   Pages: 378-383   Published: MAY 2010
 
Graphene on metals: A van der Waals density functional study
Phys. Rev. B 81, 081408(R) – Published 23 February 2010
M. Vanin, J. J. Mortensen, A. K. Kelkkanen, J. M. Garcia-Lastra, K. S. Thygesen, and K. W. Jacobsen
 
Density functional for van der Waals forces accounts for hydrogen bond in benchmark set of water hexamers
By: Kelkkanen, Andre K.; Lundqvist, Bengt I.; Norskov, Jens K.
JOURNAL OF CHEMICAL PHYSICS  Volume: 131   Issue: 4     Article Number: 046102   Published: JUL 28 2009
 
Ab Initio van der Waals Interactions in Simulations of Water Alter Structure from Mainly Tetrahedral to High-Density-Like
Mogelhoj, Andreas; Kelkkanen, Andre K.; Wikfedt, K. Thor; et al.
JOURNAL OF PHYSICAL CHEMISTRY B  Volume: 115   Issue: 48   Pages: 14149-14160   Published: DEC 8 2011
 
Graphene on metals: A van der Waals density functional study
Phys. Rev. B 81, 081408(R) – Published 23 February 2010
M. Vanin, J. J. Mortensen, A. K. Kelkkanen, J. M. Garcia-Lastra, K. S. Thygesen, and K. W. Jacobsen
 
 


 
 
I am responsible for the a function at Chalmers that helps out with licensing and development of early stage Intellectual Property.

Q: What does that mean?
A: Well, it could mean that you as a researcher have a potentially interesting idea that you really want to see utilized, but that you think  require some strategic patent in a phase where it is not very easy to pay for patents. Then we can invest in the patent and work together with you to take the utilization process to the next step.Or maybe you allready have an idea, and a potential collaboration partner and require some entity to help you with licensing models, agreements, etc.

Q: So, I can dump over the patent to you and let you do the work on it?
A: No, we have tested that and it doesn't work. We work with it together, or we are not interested to invest.

Q: So, Why do I need you?
A: Money, for one. We pay the patent costs. But we are also good at the legal stuff, negotiation and business development.

Q: Can you find customers.
A: Maybe, but we think that you have better connections in the field than we do. So you need to pitch in here.

Q: What have you done so far?
A: For example, we helped develop a couple of patents into the startup Biopetrolia AB. Here is an article about them.
http://innovationskontorvast.se/ikv/wp-content/uploads/2014/10/IKV-Artikel-Biopetrolia.pdf


Q: Sounds interesting, what do I do?
A: Give me a call and let's talk more.

Published: Thu 26 Feb 2015.