LERULI.com

Online molecular property predictions in real time and for free
#COMPCHEM #MACHINELEARNING #CHEMISTRY #MOLECULES

[LERULI.com @LERULI_com]

Democratizing chemistry a compound at a time-instant properties 4 free & on the go @ https://t.co/iUIh3mxZ6J Powered by☕️ #compchem #MachineLearning @Dom1Lemm @ferchault @ProfvLilienfeld. Experiment @A_Aspuru_Guzik @JoshuaSchrier @FrankNoeBerlin @GroupTuckerman @MicheleCeriotti?

[University of Toronto Engineering @UofTEngineering]

#UofTEngineering welcomes @ProfvLilienfeld to @uoftmse as the inaugural Clark Chair of @VectorInst. A world leader in applying AI to the chemical sciences, he joins the @UofT @acceleration_c in the development of new materials💡: https://t.co/tRrqm0Shof

[Acceleration Consortium (AC) @acceleration_c]

Meet @ProfvLilienfeld, @UofT's inaugural Clark chair in advanced materials discovery, thx to the generosity of long-time #UofT donor Ed Clark. Read the full interview 👉 https://t.co/nFC72hP9mW

@uoftengineering @ResearchUofT @UofTArtSci @VectorInst @A_Aspuru_Guzik @chemuoft

[LERULI.com @LERULI_com]

Hurray, it's been 15k 🥳🥳🥳
- since July, 15k queries have been answered for free via https://t.co/s5CBnPxarj
Come celebrate and search for properties of your favourite #molecule by name, #SumFormula, #SMILES, #SELFIE, uploads, or drawing
#compchem #chemistry #Coffee

[LERULI.com @LERULI_com]

Celebrated #Thanksgiving with a huge 🦃 and wonder why you might be so tired today? Urban myths would suggest #Tryptophan is to blame https://t.co/08C7sGoiDS
- but according to https://t.co/7DmHfrq4y7 we might need to find another excuse..

[Tejs Vegge @TVegge]

Super excited to see our work on low-temperature ammonia synthesis in @NatureCatalysis Excellent collaboration with Ping Chen @dicp_cas on revealing the secrets of complex metal hydride catalysts🙌Great work Qianru, Jaysree, all👏@DTUtweet @VILLUMscience https://t.co/ev84fpbExB

[LERULI.com @LERULI_com]

@olexandr wait, into papers? We're still just using it to produce eqns ...

[LERULI.com @LERULI_com]

Meanwhile at https://t.co/gVMXRrn53P
in 2021: It's D_6h #compchem

[LERULI.com @LERULI_com]

@drheaddamage Coming up soon: We will predict densities on-the-fly online and for free for _any_ compound, not just library entries ...

[Upper Story ~ Endless Curiosity @UpperStoryCo]

Für Kinder ist es wichtig, die Geräte um sie herum zu verstehen, um damit Neues schaffen zu können. Mit Turing Tumble ist die Logik dahinter nicht in winzigen Computerchips versteckt, sondern liegt ganz offen vor Ihnen. https://t.co/eMR3TyVhco

[Kresten Lindorff-Larsen @LindorffLarsen]

So, what is a physics-informed neural network?
https://t.co/spS8nUggGk
by @benm_oseley

[Raghunathan Ramakrishnan @raghurama123]

Great chance to workout the QM equations along with @ProfvLilienfeld! Watch the lectures with a pencil and paper.

[Guido von Rudorff @ferchault]

Just accepted: Taylor expansions in chemical space reaching arbitrary accuracy.

Fewer QM calculations, more perturbations!
https://t.co/esaAJAWaxA

[Anatole von Lilienfeld @ProfvLilienfeld]

Please subscribe to my introductory #quantummechanics lectures @YouTube! We've covered theorems, postulates, variational and perturbation method, electron density, dipole moments, polarizability, and virial theorem so far https://t.co/tWD9E1yh6H #compchem #chemistry #physics

[LERULI.com @LERULI_com]

@MarkusOrsi @DCBPunibern @reymondgroup please consider using https://t.co/s5CBnPxarj for showing graph -> 3D structure maps ...

[LERULI.com @LERULI_com]

SELFIES rulez! You can click on string or graph elements to color highlight the corresponding fragments ... SELFIES made easy! @Dom1Lemm worked hard to make this happen! Many thanks to @MarioKrenn6240 @P_Friederich @A_Aspuru_Guzik @florian_hase and AkshatKumar Nigam! #compchem

[Mario Krenn @MarioKrenn6240]

That's awesome:
@LERULI_com (@Dom1Lemm @ferchault @ProfvLilienfeld) Tool for instant plots & info about molecules for ML in QuantumChem

Can now
- read
- write
- EXPLAIN (!)
our molecular representation SELFIES 🤯🧨

See https://t.co/05QhOmqvln
(SELFIES: https://t.co/VX04qGB2B5)

[Alan Aspuru-Guzik @A_Aspuru_Guzik]

Another #postdoc position in the #matterlab Computational discovery of organic emitting materials (lasers, OLEDs) Available immediately. Please DM me with a cover letter and your CV in links (Google Drive, Dropbox). No email. Please RT.

[LERULI.com @LERULI_com]

@Sergei_Imaging @ghutchis @andrewwhite01 @OpenBabel_org mhm, so molecules only live on surfaces? We rather think it's a set of atoms which jiggle while having (a) substantial electron overlap and (b) coordinates corresponding to a local minimum of the electronic ground-state potential energy hyper surface. Simple!

[Andrew White 🐦‍⬛ @andrewwhite01]

Less than a month to put in your application for the @UofR chemical engineering department. This is a tenure-track opening at the rank of assistant professor https://t.co/3BkC4Gmcua
Please share with those interested in faculty positions!

[Anatole von Lilienfeld @ProfvLilienfeld]

@LERULI_com correctly did this one right out of the box ... and it will give you structure and properties too ...

[Frank Noe @FrankNoeBerlin]

Who wants to come to Berlin and work with @jhrmnn and myself on the next generation of deep learning systems for Quantum Chemistry, especially deep QMC, exploiting ideas from Stat Mech, generative deep learning, equivariant graph nets etc? Send Email or DM.