Asst. Professor: Indiana University - Bloomington
Theory of Materials & random birdposting
Physics PhD-Mat Sci postdoc-Chem Prof
@IUBChemistry
Opinions mine
Them: In the summer professors just have summer break right, you don't have classes to teach, you just get to relax, I mean why do you even go to the office?
Me:
I am excited to share that I will be joining the Department of Chemistry at Indiana U Bloomington
@IUBChemistry
this August, as an Assistant Professor. We will focus on the computational and theoretical study of correlated electron materials.
When I started my first postdoc, my advisor would ask me questions like 'What's the key question in the field? What is the limiting factor here?'. He directed me to have papers where my contribution was clear, and guided me away from trying to 'get' papers for citations. (1/5)
Many solid state/condensed matter physicists would benefit from reading an inorganic chemistry textbook. I know I am. Different perspectives on crystal field splitting, charge transfer (and applications to catalysis), dimers etc.
One thing I learned after Oppenheimer: it's the same Teller in Jahn-Teller (symmetry breaking) theory, the H bomb Teller-Ulam design, and BrunauerโEmmettโTeller (for adsorption of gas molecules on a surface) theory.
Want to pursue a PhD studying materials, including quantum materials (superconductors, 2D magnets and others) & materials for energy applications, like photocatalysis and other things I post about here and on youtube? Our application portal is open:
I'm actively searching for Ph.D students in the computational study of quantum materials - and materials more broadly. If interested, please apply to our department this fall. See ad below and please retweet:
My intro to correlated electron materials passed 1000 views, thank you! I made this as an intro to the group and for incoming students. This way they can watch on their own time, and should feel more comfortable asking questions:
I will be applying for faculty positions this year, in Mat Sci, Physics and Chemistry. I'll be happy to give a talk at your institution, and please send me any relevant openings ! More info about me at my link in bio.
I made a video based on my experience interviewing for tenure-track jobs in Chemistry, Physics, and Materials Science and Engineering, and how to prepare. Hopefully this is useful to people applying this year - and maybe useful to people on committees.
I made a brief video explaining how we estimate material stability using 'convex hulls' computationally, a term not many people saw in their training. This will also help you understand terms in materials project/OQMD:
Welcome, Varsha Kumari, the first Ph.D student in the group! She will be co-advised with
@SaraSkrabalak
, working on materials' theory & design in our group, as well as synthesis of materials she predicts in the Skrabalak group:
So here's some results on LK-99 as a tutorial case example in electron-lattice interactions. So here's my two main results on it. Just very isolated, S=1/2, Cu bands in an insulator. Nothing at the Fermi level in DFT+U. One can also think of these as color centers.
In this video, I discuss chemical bonding concepts as relevant for the Peierls distortion, bonding/antibonding (antibonding orbitals destabilize materials), Bloch wavefunctions, supercells/band folding, low energy vs p-d models, Wannier functions and LCAO.
A warm welcome to Prof. Alexandru Georgescu! For his independent career at IU Chemistry, Alexโs focus is on using computational and theoretical methods to understand and design the electronic properties of materials and molecules.
#iubchemistry
#welcome
#georgescugroup
Some news, the first presentation at a conference from a student in the group! Emily, a junior undergraduate student, is presenting her experimental work here with
@SaraSkrabalak
and theory work with me, at PINDU (Purdue, Indiana, Notre Dame). ๐๐๐
If you're interested in learning more about why beyond DFT methods are useful to understand correlated materials, things like ARPES in correlated metals (e.g. SrVO3) and multiplet states, I discuss this in my summer school talk (with timestamps):
The first time I used this model I was pretty breath taken. The coolest things: with just a few lines, **anyone** can now run decent atomic scale simulations.
Try it out yourself! Details in ๐งต
paper:
Since I sometimes (often) get asked how come I'm a prof in Chemistry when my degrees are in Physics, well, I just work on electrons and atoms and materials. The lines are somewhat arbitrary.
The physics Nobel was about creating a better tool for studying chemistry. The chemistry Nobel was about synthesizing a material that lets you do some really interesting physics. Neat!
I'll be teaching a Surface Chemistry class next spring, so I'm pretty excited to have students play with this. Computational tools are very useful for teaching, particularly when visual.
Today we're releasing the Open Catalyst Demo to the public โ this new service will allow researchers to accelerate work in material sciences by enabling them to simulate the reactivity of catalyst materials ~1000x faster than existing computational methods using AI.
Demo โฌ๏ธ
@Andrew_S_Rosen
It's nice to see that in the report, the solution for each issue is to set up another committee for that issue. That always solves all the problems.
I've made a video introducing key concepts in the field of correlated electron materials, with topics ranging from Mott behavior, Jahn-Teller and Peierls distortions, spin frustration, and others! Please RT if you think it's useful:
I am excited to share that I will be joining the Department of Chemistry at Indiana U Bloomington
@IUBChemistry
this August, as an Assistant Professor. We will focus on the computational and theoretical study of correlated electron materials.
Honestly, based on this, I wouldn't be surprised if the material is transparent, and maybe has a color. It may be an interesting magnet, but the spins are so isolated, I don't know why it would be.
For what it's worth, I'm preparing some stuff to help people understand a bit better the electronic structure (DFT, DFT+U) part, given the interest in some of these questions, and calculation details. Good way to set up my software at IU.
Wonderful job Emily who gave her first talk at a major conference today at
#apsmarch2024
presenting both theory w me and experiment w
@SaraSkrabalak
as a 3rd year undergraduate student in a regular APS session!
If you're around
#apsmarch2024
tomorrow morning, go see my 3rd yr undergraduate student Emily's work presenting both her theory AND experiment done with
@SaraSkrabalak
To celebrate the end of the rotations, we had a little celebratory lunch. In the picture, from left to right: Alex, Rukshanthan, Varsha, Dewni and Jane. Thank you everybody for making this rotation season fun!
Scoop: Most of the team behind a big superconductivity paper from March have asked for the paper to be pulled, claiming that the lead researcher Ranga Dias misrepresented data
Editor's Suggestion in
@PhysRevMater
, a puzzle on spin canting and rotations in a ternary nitride! The mix of spin rotations, canting, and coupling to structure (even though it's d5!), sp3 SiN4 bonding in a correlated material, made this a fun project.
Many students have a difficult time adapting to switching from taking classes to research - I had some as well. So I usually try and discuss a values based approach, which for me usually revolves around curiosity & kindness. A short thread. 1/n
Very happy to see my work (and sketches!) used and referenced in this very nice
@NaturePhysics
write up on its application to the light-induced metal insulator transition in Ca2RuO4: . You can see my original paper in the thread (1/2)
Tip: if you email me to ask for a Ph.D or postdoc position, maybe remember I'm a postdoc and can't actually hire you lol, why are you even emailing me?
And exactly one year ago, I had the second day of my interview here at
@IUBChemistry
. Though tired, I was very happy about it, and shook hands with Herman B Wells like the freshmen do for good luck ๐
Many of us - especially in academia - have to deal with impostor syndrome and thoughts like 'I'll never be good enough' etc. So here's some thoughts on how I personally deal with it. ๐งต 1/7
โTen years ago I was kicked out and forced to retire.โ
Our new medicine laureate Katalin Karikรณ (
@kkariko
) told us how much it means to be awarded the Nobel Prize after a scientific career that has been full of challenges.
Ten years ago, Karikรณ was still doing all her
Weird/amusing things about being young (or young looking I guess, I'm 35) and going to the university gym: being referred to as 'dude' and 'bro' by students, and gym staff looking very confused when I asked for the combination for the faculty & staff locker room.
Flatbands are a new word but the topic is older; impurities in a semiconductor often lead to localized impurity levels we're quite familiar with (see pic of textbook). They can also be an interesting model to study Mott physics (including maybe superconductivity).
Since CMTC produced many papers on flatbands and on superconductivity (rarely together), we are delighted seeing flatbands of LK99 being discussed everywhere, this can only be good. In case, you are still confused, flatbands in the simplest terms imply 'very heavy electron mass'
Happy to be chosen as an APS Career Mentoring Fellow, particularly as it's the first time one of my students had to write me a letter of support rather than my asking one of my mentors for one ! ๐ฅณ
Happy to help host my collaborator Raquel Queiroz
@rpa_queiroz
from
@ColumbiaQuantum
with our physics colleagues, and learn more about quantum geometry in materials! ๐
It was great hosting Tyrel McQueen from Johns Hopkins today at
@IUBChemistry
and learning more about his team's experimental efforts in quantum materials!
@McQueenLab
Random thought: Landau theories to describe first and second order transitions should be taught at the latest in an intro to solid state physics class, but honestly even earlier in undergrad.
Congratulations to Julia Bauer, who worked with me on novel Kagome materials as an REU student during summer 2022, and just committed to the Yale Applied Physics PhD program!
Papers that include DFT calculations should include a link to the final structures, almost like a figure. Not just for verifiability: it would make papers easier to read to just open the file and look at the 3D structure.
Made a nice treat for a friend tomorrow, and department picnic Sunday: sour cherry ๐ sheet cake ( pandiศpan cu viศine ). Always a crowd pleaser, always hard to find the sour cherries. ๐
People ask me how is Bloomington so here's a story from this morning: I hop on the bus but the driver was outside and nobody inside (we're at the end of the line). She comes in and I assume she'll be like show me ticket/ID (I ride the bus free w IU ID, otherwise it's $1). 1/3
If you're around
#apsmarch2024
tomorrow morning, go see my 3rd yr undergraduate student Emily's work presenting both her theory AND experiment done with
@SaraSkrabalak
I'm finalizing an intro video on correlated electron materials/transition metal oxides. I'm thinking: what are some interesting applications to mention other than microelectronics? I'm thinking electrochemistry, photocatalysis?
If you are a condensed matter physicist or materials scientist and never took an inorganic chemistry class, you will likely find this useful (like I did). If terms terms like Wannier functions, antibonding and p-d model are a bit confusing, you'll probably also find this useful.
In this video, I discuss chemical bonding concepts as relevant for the Peierls distortion, bonding/antibonding (antibonding orbitals destabilize materials), Bloch wavefunctions, supercells/band folding, low energy vs p-d models, Wannier functions and LCAO.
I'll be presenting Wednesday afternoon at
#F23MRS
. A brief review on my work, some theory, some collaborative. I'll also be visiting the meet the faculty candidate posters as we're hiring across multiple departments here. I'm not on any committee so it'll just be informative.
Want to pursue a PhD studying materials, including quantum materials (superconductors, 2D magnets and others) & materials for energy applications, like photocatalysis and other things I post about here and on youtube? Our application portal is open:
After my interview earlier this year, I shook hands with Herman B Wells, who helped found the Kinsey Institute at IU (where the Kinsey scale is from), integrated the school, and helped make the campus you see today. I knew it would be a great community to join.
One of the papers I'm proudest of is also one of the most simple - and it turns out useful for superconducting qubits and and lasers. We showed that the surface of sapphire is strongly piezoelectric:
Me a few months ago: 'Pretty worried about not living in an apartment block anymore.'
Me now: *checks for baby deer eating apples in the backyard every morning* ๐ฅน๐ฅน
I'll be giving a summer school zoom talk at
@PARADIMResearch
tomorrow at 10am Eastern on using DFT, DMFT, model calculations and machine learning to understand
& discover correlated electron materials and superconductors. Hope to see some of you there !
You can now find my PARADIM summer school talk on youtube or on Cornell's video on demand. I cover things like self-energies, how to read a DMFT paper, Hubbard bands, attempts at making Ni and Co heterostructure superconductors, lattice modes in Cu ones.
For one: it's great to solve problems and it's why I joined science. Not to 'get papers'. Second, when a student applies for jobs later on, it's easier to see: 'what can this person do? What's their perspective?'. That's all I had to say about this I guess. (4/5)