Andrew S. Rosen
@Andrew_S_Rosen
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Assistant Professor at @Princeton . Quantum-chemical engineer. Good vibes only. Lab: @RosenGroupPU
Princeton, NJ
Joined December 2017
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It's official! I'll be joining
@Princeton
as an Assistant Professor of Chemical and Biological Engineering starting in summer 2024, supported in part by a recent initiative in interdisciplinary data science! 🐅
Thank you so much to all who helped me get here! 😊🙏
And...
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1K
The
@timeshighered
lists Harvard as being the "top" university offering a degree in chemical engineering...
... except Harvard has neither a chemical engineering department nor a chemical engineering program. 🙃
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It's official! I've been named a
@UCBerkeley
Miller Fellow and will be joining the
@persson_group
as a postdoc later this year. 😁 I'm incredibly excited about this opportunity and am looking forward to some new
#compchem
adventures!
@UCB_MillerInst
,
@BerkeleyMSE
,
@UCB_Chemistry
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In all seriousness, I absolutely love this. Molecules to sheet music! Vincristine is a total bop.
From the
@ChemRxiv
pre-print "Molecular Sonification for Molecule to Music Information Transfer":
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PhD defended! A huge thank you to my advisors
@RandallSnurr
and Justin Notestein for all their support and the valuable discussions over the last 5 years! I'm looking forward to starting my postdoc
@UCBerkeley
in September (but I won't forget that NU is the best,
@OmarFarha5
😉).
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Using
#ChatGPT
to write Python code for
@matplotlib
plots is honestly a gamechanger. I never have to look up the syntax again...!
And telling it things like "looks great, but make the colormap more visually appealing" works pretty well! It generated all this with ease.
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If you have
#CrystalMaker
and want to learn how to embed a 3D atomic or crystal structure in a
@powerpoint
slide like shown below, check out these easy steps!
#MOFs
#dataviz
#compchem
#3D
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Let me make this abundantly clear to
@ACSPublications
and all other publishers: virtually nobody wants an "enhanced" PDF reader as the default.
Just serve up the regular PDF. Please!!!
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Alright folks, the duck is out of the bag. I've been amassing ChemE faculty job listings (
#FacultyChemEJobs
), building off the work of
@Chemjobber
and
@lljosephson
. Link below! Add more! 😊
Shameless self-promotion: I am looking for a faculty job. 😅🤞
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A landlord just asked for my LinkedIn when inquiring about an apartment. I've been training for this day!
I also attached my CV, research statement, teaching statement, and diversity statement for good measure. 🤞😜
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Those last-minute vows turned out okay, I think. 😊
If I've learned anything from academia, it's that writing up to the deadline is A-okay.
Totally unrelated, what's the word count for wedding vows? Wedding ceremony is at 6 PM, so let's keep that in mind.
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I'm saying my goodbyes to
@NorthwesternU
! First goodbye selfie is to the dedicated
@J_A_C_S
wall of the Kanatzidis group!
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Another lovely day at the Universiy of a Fornaberee! 🫠
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I'm biased as a co-author, but this is a must-read on how good ML interatomic potentials can be on materials and applications beyond the limits of their training set.
Open the SI. I dare you. 😉
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@MaximZiatdinov
People's hard work should be highlighted and acknowledged on their CV, and I'd be concerned about the message it sends about collaboration if this weren't the case.
Reading between the lines, it seems like the bigger issue here is judging CVs solely by enumerating papers.
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I wrote a code called QuAcc ("Quantum Accelerator"). I asked someone on
@fiverr
to make a logo based on a crazy idea I had. Here's the end result! 😅
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Now on
@ChemRxiv
, we demonstrate how a new database of
#compchem
properties for ~14,000 MOFs – the Quantum MOF (QMOF) database – can be used to develop
#machinelearning
models for the accelerated discovery of MOFs w/ targeted quantum-chemical properties!
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I am thrilled to share that the latest and greatest release of the Atomic Simulation Environment (ASE) — v3.23.0 — is now published on PyPI! Thank you to the contributors and co-maintainers who made this long-awaited update possible. Happy simulating!
#compchem
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Me: *roaming the mall*
Security guard: Excuse me sir. Is there a chemistry convention going on?
Me: Uh, yes! There is! But how did you know to ask me? I'm not wearing a badge or anything.
Guard: ...
Me: It's because I look like a nerd, isn't it.
Guard: Little bit.
😂😂😂
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If I ever have kids, I'm going to "read" them bedtime stories from this book so they think it's where all the magical fairy tales are written.
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Many people take the Materials Project () for granted, but it is an absolutely *massive* feat to make, maintain, and update a resource like this. It's truly hard to comprehend all that goes into it if you haven't lifted the curtain or made a DB yourself.
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What is amazing about
@veritasium
is that he can, in a single day, teach 600,000+ people about electronic band structures. This is science communication at its peak. Real science, real stories, and an excellent time for all. Bravo!
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Our paper "High-throughput predictions of MOF electronic properties" is out!
Learn about the trials and tribulations of DFT-predicted band gaps, milti-fidelity ML models to predict them, and the MOF Explorer App on the Materials Project!
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A while ago, I recommended my first "rejection" for a paper I reviewed. An updated pre-print recently went online, and I'm so pleased to see that not only were my comments taken seriously, but several of my questions led to new research directions and a new "story." 🥰 So cool!
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One of the things I love about kinetics is that ~100 yrs after the death of Arrhenius, you can still publish forward-thinking research on something as "simple" as reversible reactions: .
There are countless examples of rethinking the old. It is beautiful.
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Got to spend the day on the
@WhiteHouse
grounds with
@WHOSTP
to discuss AI and automation in materials design and manufacturing! Very thought-provoking meeting with great folks across disciplines and sectors.
P.S. I think I've found my new home. Plenty of eagle decor! 🦅🇺🇸
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The
#FacultyChemEJobs
list has 135 positions, which appears to be a record year!
I have truly enjoyed giving back to the community with this small effort. I will continue to update the list until the end of the year. Best of luck to everyone!
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I had "DFT is all wrong and has absolutely no value" said to me more times than I would have liked during my faculty interview 1:1 meetings. Every time, there was no convincing the faculty member otherwise. It was entirely an emotional argument, and it soured my experience.
I've also heard comments like "MD simulations have never taught me anything." Its increasingly a demonstration that science has Luddites than a reflection of reality , as we get better and better at making true predictions that guide subsequent experiments.
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And... that's a (slightly delayed) wrap!
I am so thankful for my two amazing PhD advisors,
@RandallSnurr
and
@Jnotestein1
, who made my experience at
@NorthwesternEng
so special. An honor to be hooded by them both!
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A draft of my thesis is virtually done 🥳 With a hefty 633 references in there, I am feeling very thankful for all the great inspiration and prior work from those that helped pave the way. So many of you are on Twitter, so thank YOU! 🙌
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I'm super excited to share that I've been selected as a
#CASFutureLeader
! Big thanks to
@CASChemistry
for this honor! I'm looking forward to meeting the other
#CASFutureLeaders
🙂
It's official! Here to announce our 2020
#CASFutureLeaders
are program alumni
@STEMxicanEd
,
@Felicia5562
,
@cesapo
,
@ChemistCraig
,
@nadineborduas
and
@gomobel
. Congratulations to this year's class!
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Ship of Theseus, except it's your PowerPoint slide deck for seminars.
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Online now in
@Matter_CP
, our paper on predicting the electronic structure properties of
#MOFs
using
#MachineLearning
and the newly developed Quantum MOF (QMOF) Database is live!
#CompChem
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I am so proud and excited for Prof. Brumberg!!! 🤩🐉🐲 It has been quite the journey!
Alright, I suppose I have some news of my own to share as well...
This winter, I will be joining the Department of Chemistry
@DrexelUniv
! I am so excited to work with students in the classroom and the lab and to watch as our research in physical inorganic chemistry develops 🐉🎉
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On the flipside of the hype: "Kohli also says... there are no current plans to release the GNoME model. He cites safety considerations—the software could theoretically be used to dream up dangerous materials, he says."
I'm sorry, but this ain't it. At all. 1/3
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Check out the 2021
#MaterialsProject
Workshop series on
@YouTube
! Over 12 hours of content covering Python, automated DFT (
#compchem
), MongoDB,
#MachineLearning
, working with data on the Materials Project, and more! A truly fantastic resource!
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@nanobrumberg
🥰 will be moving with me, so if you're at a university in the NJ/Philly/NYC area and are looking to hire a tenure-track assistant prof who is an amazing spectroscopist 🔦, materials scientist 💎, or combination thereof, then... 👀
🧪 🧪
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Now out in
@JOSS_TheOJ
, "Jobflow: Computational Workflows Made Simple."
Congrats to
@alexganose
for another beautiful software effort. There are many workflow tools out there, each with pros/cons. This one has a unique pro though — it will be powering the Materials Project. 🔮
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Just opened a kinetics textbook with the following opening line: "Chemistry is a complex science, especially for chemists." ☠️
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And that's a wrap! After 975 votes, the winner of
#MOFMadness
is... NU-1000!!! Cheers to
@Farhomies
,
@OmarFarha5
, and
@NUChemistry
!
For the third round in a row, NU-1000 turned the tides and gained massive ground in the final hours, this time to win it all! 1/4
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Well, it happened.
I'm about to have an interview and brought an electric razor with me. I shaved the left side of my face, no problem. Then the whole thing died for good... ☠️ 😬
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A ~2 yr late honeymoon with
@nanobrumberg
, but better late than never!
I uninstalled Slack from my phone. Muted all notifications. Peace at last! 😅😎
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When startup companies reach out to me to "chat" about
#MachineLearning
and
#QuantumChemistry
, my response lately has been the same: my time is limited — what specific questions do you have?
Rarely do they reply. If you just want "pick my brain," I'm not doing this for free. 💰
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Starting off my Friday at the
@molecularfndry
to start putting together the logistics for
@MCHammer
's visit to
@BerkeleyLab
!
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I'm in Austin, TX today and made a quick pitstop over at
@UTAustin
ChemE. Slipped a few copies of my CV under the door, for good measure. 😜
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🚨 Faculty in NJ/Philly/NYC:
My talented wife, Dr. Alexandra Brumberg (
@nanobrumberg
), is on the hunt for a faculty position! The Brumberg lab will study structural/electronic dynamics of optoelectronic nanomaterials. Keep an eye out for this star! 🤩
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They've removed Harvard as the
#1
engineering school offering chemical engineering in response to my post (the throne now goes to Stanford)!
We did it? 😅
The
@timeshighered
lists Harvard as being the "top" university offering a degree in chemical engineering...
... except Harvard has neither a chemical engineering department nor a chemical engineering program. 🙃
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There are currently three universities specifically hiring computational chemical engineers, and they all have something in common...
#GoPurple
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It's time! I'm wrapping up the acknowledgments section for my thesis, and then it should be good to go. 🤞
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@putra_duha
@whyvert
@cremieuxrecueil
Yup, exactly. 65 is a pass, and 55 is a "low pass" for students with disabilities.
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Twitter loves to bash B3LYP, so let's put that energy to good use. Any suggestions of a functional for TM thermochemistry/kinetics that is:
1. In ORCA/Gaussian (w/ support for opts & analytical freqs!)
2. Not a pain to converge the SCF
3. Decent for spin states, ideally
#compchem
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I'm extremely excited and honored to have received
@TGSatNU
's Presidential Fellowship and join the
@NorthwesternU
Society of Fellows! Thank you to all who helped me get here, especially the amazing ChBE department at
@NorthwesternEng
. I couldn't ask for a better place to be.
The Graduate School is pleased to announce the 2020 recipients of the Presidential Fellowship, the most prestigious fellowship awarded to graduate students by
@NorthwesternU
. Please join us in congratulating these students!
Read more at .
#TGSatNU
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All this chatter about room temperature superconductivity and nobody tried the simpler route of just changing the temperature of the room? 😜
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I have to admit... I have no clue how you all are getting any work done on the plane. I just can't do it.
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Me mapping out the proposed catalytic mechanisms for my next paper.
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Our new paper on terminal metal-oxo sites in
#MOFs
is out in
@angew_chem
! Unpaired electrons can be pretty weird. Here, we discuss how their arrangement can greatly influence C-H bond activation. And in what ways it doesn't. Also: effects of ligand-exchange.
#compchem
#catalysis
High-Valent Metal-Oxo Species at the Nodes of Metal-Triazolate Frameworks: The Effects of Ligand Exchange and Two-State Reactivity for C-H Bond Activation.
@Andrew_S_Rosen
,
@RandallSnurr
,
@IINanoNU
,
@NorthwesternEng
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@BenBlaiszik
I reviewed a paper somewhat recently where the authors reluctantly agreed to upload the code, and when I looked during the revision, all the files were 100% blank except for the README! I almost lost it.
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If I've learned anything from academia, it's that writing up to the deadline is A-okay.
Totally unrelated, what's the word count for wedding vows? Wedding ceremony is at 6 PM, so let's keep that in mind.
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Currently recovering from eating six pieces of garlic bread. Age 30 has hit me hard, folks...
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I landed in Seattle and am excited to visit
@UWChemE
tomorrow!
In the meantime, I got a little bit of a headstart on checking out the campus. 😊
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Love materials discovery? Big data? Machine learning? Then make sure you're registered for the virtual Materials Research Data Alliance (MaRDA) annual meeting (Feb. 21-23).
I'll be a speaker/panelist at Session 4: The Future of Access to Materials Data.
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This one's for the
#DFT
lovers: new paper in J. Chem. Phys., evaluating the effect of DFT+U for redox-dependent adsorption in
#MOFs
! Go ahead and use those empirical U values – it's much better than nothing.
#compchem
@AIP_Publishing
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The AY 2023-2024 ChemE TT Faculty Openings spreadsheet is now live!
#FacultyChemEJobs
Huge thanks to the new maintainers who are all on the job market:
- Dr. Heather LeClerc (
@Heatherlec620
)
- Dr. Sribala Gorugantu (
@G_Sribala
)
- Dr. Alexander Hoffman
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While I do love the "MOFfer you can't refuse" (
@Farhomies
), this poster by the
@Dichtelians
for
@Dichtel
group open house
@NorthwesternU
has me nearly in tears from laughter. Porous materials and comedy go hand-in-hand it seems.
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Thanks for this fun opportunity to reflect a bit on my time at
@NorthwesternU
! Fair warning: nerdy interview responses abound, like my undying love for BSL's "Transport Phenomena."
@NorthwesternEng
,
@IINanoNU
,
@ResearchNU
Meet
@Andrew_S_Rosen
, a PhD candidate in the Department of Chemical and Biological Engineering in the McCormick School of Engineering and a Presidential Fellow, the most prestigious felowship awarded to our graduate students.
Learn more:
#MeetTGS
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New pre-print on
@ChemRxiv
with
@sudarshanv01
and
@KPatBerkeley
!
What if metallic compounds had electronic states not like typical inorganic solids but more like that of a free atom or molecular metal complex? Turns out, such examples may not be so rare!
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I've made it -- I'm officially a scientist *and* an engineer 😅
But actually, I'm super thankful for the support the
@UCB_MillerInst
has given me during my time at
@UCBerkeley
. ❤️
Scientist and engineer Andrew Rosen (Miller Fellow 2021-2024) conducts research that addresses global challenges like clean energy and sustainability. Contribute to this important work by supporting our new postdoctoral fellowship fund! -
#CalBigGive
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I have to say: the "crap"-doping of graphene and the JACS Au bonanza really seems to have united the chem Twitter community this past week!
JACS Au: It's about the friends we made along the way.
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... and it's live! If you want to hear about the mysteries of "free-atom-like" electronic states in single-atom alloys and intermetallics, check out our work in
@ChemicalScience
!
#MyFirstChemSci
Huge thanks to co-authors
@sudarshanv01
and
@KPatBerkeley
!
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Why bother with machine learning when you can turn representations of molecules and materials into art. 😍
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"Imagine you’re a materials scientist and your job is to discover a new material, a combination of atoms no one has ever made...."
Fantastic new
@cenmag
article by
@SamLemonick
on recent efforts to benchmark new ML models in chemistry and mat sci!
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Exciting update! Check out our
@ChemRxiv
pre-print where we:
1. Unveil the
@QMOF_Database
web app on the
#MaterialsProject
.
2. Explore
#compchem
limitations in band gap & partial charge predictions.
3. Develop multi-fidelity
#ML
models for MOF band gaps.
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"Write a love song about DFT (density functional theory) in the style of Taylor Swift" 1/2
#ChatGPT
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New
@ACSCatalysis
paper on scaling relations that identify MOFs for CH4 activation w/
@RandallSnurr
& Justin Notestein is online!
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Okay, I'll share just one more graduation pic of me with my advisors 😊
Now back to
@UCBerkeley
!
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We now live in a world where, conceivably, I can influence betting markets with VASP calculations.
Absolutely wild. 😂
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It was a pleasure to chat with
@ScienceMagazine
about the recent
@GoogleDeepMind
/
@BerkeleyLab
discoveries! Lovely quotes from two of my favorite people too,
@alexganose
and
@MolecularXtal
! 😊
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🚨 Considering doing a postdoc in computational materials chemistry? How about
#AI
for climate?
The new Bakar Institute of Digital Materials for the Planet at
@UCBerkeley
has an exciting fellowship opportunity ($75k/yr)!
Apply by Jan 27th:
#ChemPostdoc
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For the
#DFT
nerds, check out our new work – led by the valiant
@RyanSKingsbury
– on how to predict the phase stability of materials using different (and otherwise seemingly incompatible) levels of theory. This is the future of the
#MaterialsProject
!
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The only thing not insanely expensive in the entire state of CA seems to be these croissants on
@UCBerkeley
campus. So, looks like my postdoc experience will be powered by warm, delicious, flaky croissants. Could be worse.
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@TuftsUniversity
, the Colossal Acorn Head can attest that
@nanobrumberg
and I didn't let the pandemic stop our 🐘 wedding either! 😁
The pandemic has complicated wedding plans, but it didn’t stop Jumbos—and others—from finding a new path to joyful celebrations.
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I think
@LatinXChem
wins the award for best lineup of speakers this pandemic. Wow!!
#LatinXChem
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I've been drafting bits and pieces of my future group handbook in my spare time, and every single page has a cute animal as the header.
There is an overabundance of red pandas, in particular.
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Want to run DFT workflows using Quantum Espresso but don't know where to start? Tom Demeyere of
@unisouthampton
has written an excellent blog post about the use of quacc to do so!
.
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