Bettina Keller
@bettinagkeller.bsky.social
Theoretical and Computational Chemistry, Professor @FU_Berlin
📢 We're hiring a PhD student (4 years) in computational chemistry at Freie Universität Berlin. Research on molecular dynamics, molecular kinetics, rare events & machine learning. Apply by 3 Aug 2026: jobs.fu-berlin.de/job/Research... #CompChem
Research assistant (praedoc) (f/m/d) DM-786
Research assistant (praedoc) (f/m/d) DM-786
jobs.fu-berlin.de
July 8, 2026 at 9:25 AM
📢 We're hiring a PhD student (4 years) in computational chemistry at Freie Universität Berlin. Research on molecular dynamics, molecular kinetics, rare events & machine learning. Apply by 3 Aug 2026: jobs.fu-berlin.de/job/Research... #CompChem
Reposted by Bettina Keller
So grateful for this award, and for the chance to present our group's research at ACS in the Fall! #compchem #chemsky
Alice Walker has received the OpenEye outstanding junior faculty award for 2026 from the American Chemical Society Division of Computers in Chemistry. Congratulations, @arwalker.bsky.social! #wsuchemistry #compchem #ChemSky
www.acs-comp.org/awards/the-c...
www.acs-comp.org/awards/the-c...
OpenEye Outstanding Junior Faculty Award in Computational Chemistry
The ACS COMP OpenEye Cadence Molecular Sciences Outstanding Junior Faculty Award program provides $1,000 to up to four outstanding tenure-track junior faculty members to present their work in COMP div...
www.acs-comp.org
April 15, 2026 at 4:01 PM
Reposted by Bettina Keller
I'm really pleased to have been involved in this interlaboratory study, now published in ChemPhysChem.
If you calculate and/or publish isosteric enthalpies of adsorption, please take a look. We found a lot of variation in determined values...
#chemsky
If you calculate and/or publish isosteric enthalpies of adsorption, please take a look. We found a lot of variation in determined values...
#chemsky
An International Laboratory Comparison Study on Approximating the Enthalpy of Adsorption via the Clausius‐Clapeyron Approach
Adsorbate–adsorbent interaction is often quantified via the isosteric enthalpy of adsorption, ΔHst. Commonly, ΔHst is determined indirectly by applying the Clausius-Clapeyron (CC) equation to adsorpt...
chemistry-europe.onlinelibrary.wiley.com
April 14, 2026 at 12:34 PM
I'm really pleased to have been involved in this interlaboratory study, now published in ChemPhysChem.
If you calculate and/or publish isosteric enthalpies of adsorption, please take a look. We found a lot of variation in determined values...
#chemsky
If you calculate and/or publish isosteric enthalpies of adsorption, please take a look. We found a lot of variation in determined values...
#chemsky
Check out @nicgaston.bsky.social work on the low melting temperature of gallium and how entropy drives the process!
Just out: Women in chemistry: Q&A with Professor Nicola Gaston
Women in chemistry: Q&A with Professor Nicola Gaston
Communications Chemistry, Published online: 09 April 2026; doi:10.1038/s42004-026-01995-8Professor Nicola Gaston is the Director of the MacDiarmid Institute for Advanced Materials and Nanotechnology, a New Zealand Centre of Research Excellence, and a Professor in Physics at the University of Auckland, where her research group conducts quantum-mechanical simulations of the electronic and thermodynamic behaviour of nanoscale materials.
dlvr.it
April 14, 2026 at 4:41 AM
Check out @nicgaston.bsky.social work on the low melting temperature of gallium and how entropy drives the process!
Reposted by Bettina Keller
I forget: is the proper order:
Sock - shoe - sock - shoe
Or:
Sock - sock - shoe -shoe
First is more efficient in leg movement terms.
Sock - shoe - sock - shoe
Or:
Sock - sock - shoe -shoe
First is more efficient in leg movement terms.
April 11, 2026 at 8:32 AM
I forget: is the proper order:
Sock - shoe - sock - shoe
Or:
Sock - sock - shoe -shoe
First is more efficient in leg movement terms.
Sock - shoe - sock - shoe
Or:
Sock - sock - shoe -shoe
First is more efficient in leg movement terms.
Reposted by Bettina Keller
Note the analysis on the discordance between the health and economic burden of endometriosis vs relative federal investment in research. TL:DR, very bad.
www.owlposting.com/p/endometrio...
www.owlposting.com/p/endometrio...
Endometriosis is an incredibly interesting disease
5k words, 23 minutes reading time
www.owlposting.com
March 15, 2026 at 6:27 PM
Note the analysis on the discordance between the health and economic burden of endometriosis vs relative federal investment in research. TL:DR, very bad.
www.owlposting.com/p/endometrio...
www.owlposting.com/p/endometrio...
Reposted by Bettina Keller
Chemist/physician Dr. Maud Menten co-authored the seminal paper 𝘋𝘪𝘦 𝘒𝘪𝘯𝘦𝘵𝘪𝘬 𝘥𝘦𝘳 𝘐𝘯𝘷𝘦𝘳𝘵𝘪𝘯𝘸𝘪𝘳𝘬𝘶𝘯𝘨, 1931. This intro'd the Michaelis–Menten equation (image). It remains a cornerstone of #biochemistry, used in drug design, metabolic studies & enzyme engineering. She was born #OTD in 1879.
#WomenInSTEM
#WomenInSTEM
![A black-and-white historical photograph of Dr. Maud Leonora Menten (1879–1960), the Canadian physician and biochemist who co-developed the Michaelis–Menten equation for enzyme kinetics. Taken in her laboratory (likely at the University of Pittsburgh in the 1910s–1920s), she stands with a serious, focused expression—lips closed, eyes direct and thoughtful—against a backdrop of wooden shelves filled with glass bottles, jars, scientific equipment, and a wire-mesh enclosure. She wears a dark dress with a lace collar, a string of beads, and her hair styled in a neat bun. Superimposed on the image is the Michaelis–Menten equation in white text:v=Vmax[S]Km+[S]v = \frac{V_{\max} [S]}{K_m + [S]}v = \frac{V_{\max} [S]}{K_m + [S]}
This iconic portrait captures Menten during her groundbreaking research in biochemistry and histochemistry, where she helped establish the foundational mathematical model of enzyme-substrate reactions still used today, while overcoming significant gender barriers as one of the first women in Canada to earn both an M.D. and a Ph.D.](https://cdn.bsky.app/img/feed_thumbnail/plain/did:plc:2xisupj43xdq7uvffzigis5p/bafkreihpw72tjmrypo7d5tc2fv5kzpsmsc7kglj4n3ekw22e2ys4gg6nti)
March 20, 2026 at 3:17 PM
Chemist/physician Dr. Maud Menten co-authored the seminal paper 𝘋𝘪𝘦 𝘒𝘪𝘯𝘦𝘵𝘪𝘬 𝘥𝘦𝘳 𝘐𝘯𝘷𝘦𝘳𝘵𝘪𝘯𝘸𝘪𝘳𝘬𝘶𝘯𝘨, 1931. This intro'd the Michaelis–Menten equation (image). It remains a cornerstone of #biochemistry, used in drug design, metabolic studies & enzyme engineering. She was born #OTD in 1879.
#WomenInSTEM
#WomenInSTEM
Reposted by Bettina Keller
The APS Global Physics Summit is in full swing!
Such large conferences are always a bit overwhelming, so I'm starting a thread to digest it from my point of view as a computational biophysicist.
#APSsummit26
@apsphysics.bsky.social
Such large conferences are always a bit overwhelming, so I'm starting a thread to digest it from my point of view as a computational biophysicist.
#APSsummit26
@apsphysics.bsky.social
March 17, 2026 at 4:30 PM
The APS Global Physics Summit is in full swing!
Such large conferences are always a bit overwhelming, so I'm starting a thread to digest it from my point of view as a computational biophysicist.
#APSsummit26
@apsphysics.bsky.social
Such large conferences are always a bit overwhelming, so I'm starting a thread to digest it from my point of view as a computational biophysicist.
#APSsummit26
@apsphysics.bsky.social
Chuck Norris counted all the way to infinity. Twice.
March 20, 2026 at 7:27 PM
Chuck Norris counted all the way to infinity. Twice.
Reposted by Bettina Keller
A 2024 #SciencePerspective identified key issues that need to be prioritized in the study of Long Covid.
Learn more on #LongCovidAwarenessDay: https://scim.ag/3Pz63hl
Learn more on #LongCovidAwarenessDay: https://scim.ag/3Pz63hl
Solving the puzzle of Long Covid
Long Covid provides an opportunity to understand how acute infections cause chronic disease
scim.ag
March 15, 2026 at 7:16 PM
A 2024 #SciencePerspective identified key issues that need to be prioritized in the study of Long Covid.
Learn more on #LongCovidAwarenessDay: https://scim.ag/3Pz63hl
Learn more on #LongCovidAwarenessDay: https://scim.ag/3Pz63hl
Reposted by Bettina Keller
March 14, 2026 at 12:48 PM
Reposted by Bettina Keller
📜 Treasures from the archive
To celebrate 100 years of Schrödinger’s equation, the Faculty of Physics is sharing archival documents connected to Erwin Schrödinger and the beginnings of quantum mechanics.
More materials throughout the year:
schroedinger100.univie.ac.at/treasures-fr...
To celebrate 100 years of Schrödinger’s equation, the Faculty of Physics is sharing archival documents connected to Erwin Schrödinger and the beginnings of quantum mechanics.
More materials throughout the year:
schroedinger100.univie.ac.at/treasures-fr...
March 10, 2026 at 12:34 PM
📜 Treasures from the archive
To celebrate 100 years of Schrödinger’s equation, the Faculty of Physics is sharing archival documents connected to Erwin Schrödinger and the beginnings of quantum mechanics.
More materials throughout the year:
schroedinger100.univie.ac.at/treasures-fr...
To celebrate 100 years of Schrödinger’s equation, the Faculty of Physics is sharing archival documents connected to Erwin Schrödinger and the beginnings of quantum mechanics.
More materials throughout the year:
schroedinger100.univie.ac.at/treasures-fr...
Reposted by Bettina Keller
We developed a simple theory and showed that Random Acceleration Molecular Dynamics (RAMD) is consistent with a Smoluchowski equation with an effective temperature and diffusion coefficient that depend quadratically on the magnitude of the random force.
pubs.aip.org/aip/jcp/arti...
pubs.aip.org/aip/jcp/arti...
A theoretical framework for random acceleration molecular dynamics simulations
The dissociation of a ligand bound to a receptor is a rare event occurring on a timescale that is far longer than can be afforded by standard simulation methodo
pubs.aip.org
February 10, 2026 at 9:10 PM
We developed a simple theory and showed that Random Acceleration Molecular Dynamics (RAMD) is consistent with a Smoluchowski equation with an effective temperature and diffusion coefficient that depend quadratically on the magnitude of the random force.
pubs.aip.org/aip/jcp/arti...
pubs.aip.org/aip/jcp/arti...
Reposted by Bettina Keller
This is the moment we've worked toward for a long time: First public disclosure of the @asapdiscovery.bsky.social pan-coronavirus antiviral aiming to help keep humanity safe from future pandemic threats like MERS-CoV and other bat coronaviruses.
📢Important announcement! Today, the @asapdiscovery.bsky.social consortium disclosed the structure of our preclinical candidate, ASAP-0017445, a promising broad-spectrum antiviral with potent activity against SARS-CoV2 and other viruses belonging to the same family. (1/10)
March 25, 2025 at 7:47 PM
This is the moment we've worked toward for a long time: First public disclosure of the @asapdiscovery.bsky.social pan-coronavirus antiviral aiming to help keep humanity safe from future pandemic threats like MERS-CoV and other bat coronaviruses.
Reposted by Bettina Keller
15,000 people protested fascism and racism in Amsterdam yesterday.
March 23, 2025 at 7:38 PM
15,000 people protested fascism and racism in Amsterdam yesterday.
Reposted by Bettina Keller
I was invited, for July, to a scienctific meeting in Telluride (Colorado). I was told it is a wonderful place for a conference, and I was very much looking forward to an exciting meeting in a fantastic environment. I have just canceled my participation, despite having booked already everything.
French scientist denied US entry after phone messages critical of Trump found
France’s research minister said the scientist was traveling to Houston for a conference when his phone was searched
www.theguardian.com
March 23, 2025 at 10:44 AM
I was invited, for July, to a scienctific meeting in Telluride (Colorado). I was told it is a wonderful place for a conference, and I was very much looking forward to an exciting meeting in a fantastic environment. I have just canceled my participation, despite having booked already everything.
Reposted by Bettina Keller
BREAKING: People are being suspended on X in Turkey for posting videos of these protests against Erdoğan’s corrupt and repressive regime.
Keep sharing everywhere.
Keep sharing everywhere.
March 23, 2025 at 12:20 PM
BREAKING: People are being suspended on X in Turkey for posting videos of these protests against Erdoğan’s corrupt and repressive regime.
Keep sharing everywhere.
Keep sharing everywhere.
Reposted by Bettina Keller
Lots of RSC journals popping up on Bluesky (with proper domain names - well done!) including @chemicalscience.rsc.org; flagging for #Chemsky
a picture of a penguin with the word hello on it
Alt: A picture of a cartoon penguin waving 'hello'; with the caption 'hello' at the bottom of the gif
media.tenor.com
February 27, 2025 at 1:34 PM
Lots of RSC journals popping up on Bluesky (with proper domain names - well done!) including @chemicalscience.rsc.org; flagging for #Chemsky
Reposted by Bettina Keller
Today we have published BioEmu-Benchmarks (MIT license): a code to evaluate the multi-conformation sampling benchmarks, MD free energy landscape benchmarks, and folding free energy benchmarks shown in the BioEmu-1 paper with BioEmu or your own model. Some details below 🧵
github.com/microsoft/bi...
github.com/microsoft/bi...
GitHub - microsoft/bioemu-benchmarks: Benchmarking code accompanying the release of `bioemu`
Benchmarking code accompanying the release of `bioemu` - microsoft/bioemu-benchmarks
github.com
February 21, 2025 at 3:49 PM
Today we have published BioEmu-Benchmarks (MIT license): a code to evaluate the multi-conformation sampling benchmarks, MD free energy landscape benchmarks, and folding free energy benchmarks shown in the BioEmu-1 paper with BioEmu or your own model. Some details below 🧵
github.com/microsoft/bi...
github.com/microsoft/bi...
Reposted by Bettina Keller
Was Rechte uns als Freiheit verkaufen | ZDF Magazin Royale
YouTube video by ZDF MAGAZIN ROYALE
youtu.be
February 9, 2025 at 5:56 PM
Reposted by Bettina Keller
The currently proposed budget changes to NIH and NSF have absolutely nothing to do with efficiency. They are a full-on assault on science. Trump and Musk want to kill it. Universities who have been silent for fear of losing funds: how’s that working for you? It’s time to fight back.
February 8, 2025 at 2:05 AM
The currently proposed budget changes to NIH and NSF have absolutely nothing to do with efficiency. They are a full-on assault on science. Trump and Musk want to kill it. Universities who have been silent for fear of losing funds: how’s that working for you? It’s time to fight back.
Reposted by Bettina Keller
Join us in beautiful Prague to study molecular physics. My group is offering a PhD position at UCT Prague, Czechia related to #protein - #RNA interactions. For more details, visit mhko.science/p/positions/ or contact us directly at [email protected].
January 26, 2025 at 8:36 PM
Join us in beautiful Prague to study molecular physics. My group is offering a PhD position at UCT Prague, Czechia related to #protein - #RNA interactions. For more details, visit mhko.science/p/positions/ or contact us directly at [email protected].
Reposted by Bettina Keller
In a great collaboration with @hummerlab.bsky.social and the Kräusslich lab: HIV capsid doesn't break at the NPC; instead, it cracks open the NPC itself! Details in Cell: authors.elsevier.com/sd/article/S... @mpibp.bsky.social @uniheidelberg.bsky.social A thread below:
January 17, 2025 at 6:43 PM
In a great collaboration with @hummerlab.bsky.social and the Kräusslich lab: HIV capsid doesn't break at the NPC; instead, it cracks open the NPC itself! Details in Cell: authors.elsevier.com/sd/article/S... @mpibp.bsky.social @uniheidelberg.bsky.social A thread below: