Placement Information
Year you started your placement
2016
Placement period
May – August, September – December
Supervisor’s name
Maurits W. Haverkort
Project Details
Overview
My project is concerned with the use of computational methods to investigate various properties of transition metal compounds. It is characterized by the sequential application of different levels of theory, depending on the precision required. Crystal field theory and ligand field theory are key players in this procedure.
Quanty is a language written by my supervisor, Maurits Haverkort, and collaborators. Quanty’s purpose is to do many-body quantum calculations. Using Quanty, one can write a many-body Hamiltonian for the system of interest, incorporating a crystal field, exchange interactions, a magnetic field and other operators as necessary. Quanty can then derive an eigensystem (of wavefunctions) and Boltzmann statistics is employed to calculate various expectation values. I also work with FPLO (http://www.fplo.de/) to obtain parameters for the compounds and Mathematica to handle the results. Quanty programs are written in Lua.
Project objectives
The primary objective is to devise effective computational methods of obtaining properties of various compounds given their crystal structure and lattice properties. Several others goals branch off from this main objective: These goals are more specific and are addressed as the work progresses. Some include the demonstration of the fundamental differences in the behaviours of NiO and CoO and an investigation of the properties of chromium oxides.
Research outcomes
During my first month here, I completed a Quanty program that calculates the magnetic susceptibility and specific heat of NiO using crystal field theory and plots this information. It currently serves as a simple example of Quanty’s capabilities. In addition, a comparison with a similar program for CoO has presented implications of significant disparities in the characteristics of these materials.
Currently I am carrying out a similar, but more in-depth, procedure for CrO2 and Cr2O3. Researchers at other institutes are interested in the properties of these materials and their function as catalysts.
Project status
Completed
Expected completion date
12/30/2016
My Co-op Experience at MPI
Why did you apply for a placement with Max Planck Institute?
The Max Planck Society is known as a world leader when it comes to research, so I did not hesitate to take part in the action.
Before all this, I had also lived in Vancouver for eight years and had not lived away from home. Europe did seem a bit extreme, but I just decided to hold my breath and plunge right into a completely new world. In more ways than one, it turned out to be a life-changing experience.
What recommendations do you have for students who wish to participate in MPI-UBC exchange program?
Everyone is lacking in knowledge at first, so don’t be overwhelmed or intimidated. Everyone in this program is an example of someone who started out thinking they “knew nothing” and accomplished amazing things. So show a willingness to learn. Try things yourself, but don’t be afraid to ask for help when you need it. Given your position, this determination should be more important than just knowledge.
Get to know the people around you. Join people for things like lunch and coffee break… and dinners whenever you’re invited! I’ve had the opportunity to meet so many brilliant people here doing fascinating research. What’s more is that they have been able to help me out now and then. None of this would have been possible if I had been sitting in my office working all day!
This eagerness is the key to getting the job and doing it successfully. Be passionate about the research, be fearless about trying new things and be keen to learn.
And you’ll be in Europe, so it would be ridiculous to not do any travelling!
Tell us about your travels and cultural experiences in Germany and the rest of the Europe
Dresden is a fairly calm city and is full of culture and youth. There is a festival every month and the night skyline is more beautiful than many cities in Europe. Within the first month I had done plenty of exploring in the city. Living in Germany granted such easy access to the rest of Europe, so whenever I felt like I needed something different, I just planned a trip.
I am not much of a traveller, but whenever I put my heart to it, I could go on an adventure every weekend. In the past four months, I have been to Berlin, Prague, Paris, Budapest, Vienna and Český Krumlov… and the more travel-keen friends of mine have been to two or three times the number of cities!
It was not until the trip to Prague that my eyes were opened to the unique atmosphere each city hosted. Whether it’s from books, the internet, or a tour guide, learning about the city deepens the experience tenfold – Without it, they really are little more than a bunch of pretty buildings. Every ancient building has its own fascinating story to tell, so listen to what it has to say!
When travelling by bus throughout Europe, you should not be surprised if the bus or train is late – On several occasions my buses were 90+ minutes late. I had the chance to use countless bus providers, but FlixBus (https://meinfernbus.de/en) has been the most reliable so far for a reasonable price. It also texts you if a bus is running late.
Many people in Germany speak English, but it is quite helpful to learn a bit of German! It also leaves a better impression. Quite fortunately for me, there was a German teacher who taught at the institute.
