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This is likely to affect your favorite representation, too. SOAP, symmetry functions, smooth DeepMD, FCHL, MBTR, ...
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Hot of the
#preprint press. Mind-bending atomic construction demonstrating that 3 (and 4) body representations for atomistic#MachineLearning are not complete, and how we could have missed it this far. http://arxiv.org/abs/2001.11696 pic.twitter.com/xIqhjMkngl
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Great collaboration, and great work - the cherry on the top of
@ChengBingqing's revamp of the atomistic modelling of nucleation by mapping it onto macroscopic thermo!https://twitter.com/ChengBingqing/status/1221722665964183553 …
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cosmo-epfl proslijedio/la je Tweet
Looking for a
#compchem PhD working on materials? structure prediction, quantum mechanics, machine learning. This position is available in our group. Fully funded (fees + grant). Pass this on if you know someone who might be interested.https://www.findaphd.com/phds/project/crystal-structure-prediction-based-nmr-crystallography/?p111452 …Hvala. Twitter će to iskoristiti za poboljšanje vaše vremenske crte. PoništiPoništi -
cosmo-epfl proslijedio/la je Tweet
Have a look at our new story on thermal transport in amorphous organic electronic materials https://doi.org/10.1039/C9CP05938E …
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One of our best ideas over the past few years, and incredible work by Andrea Grisafi. Hopefully soon available in an easy-to-use
#opensource code.#MachineLearning#HBMAP@ERC_Research@nccr_marvelhttps://twitter.com/AIP_Publishing/status/1216732472685273088 …Hvala. Twitter će to iskoristiti za poboljšanje vaše vremenske crte. PoništiPoništi -
Best wishes to everyone for a great start of 2020, with a bit of geeky artistry by Felix Musil portraying a data-driven, 3D version of the periodic table.pic.twitter.com/xpmjBQs8Av
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cosmo-epfl proslijedio/la je Tweet
Finally accepted our collaborative work with
@COSMO_EPFL: Machine learning-based identification and tracking of defects and of their dynamics in self-assembled supramolecular polymers! This is key to understand the complex dynamic nature of these systems.https://pubs.acs.org/doi/10.1021/acs.jpcb.9b11015 …Prikaži ovu nitHvala. Twitter će to iskoristiti za poboljšanje vaše vremenske crte. PoništiPoništi -
cosmo-epfl proslijedio/la je Tweet
We are opening positions in our group! People interested in doing a PhD with us can write me in private for info on the research (also postdoc in exceptional cases). We are looking for candidates with experience in ab initio simulations, enhanced sampling and/or machine learning
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cosmo-epfl proslijedio/la je Tweet
Version 7.1 has been released as our christmas gift including: - SIRIUS - xTB - RPA / GW / MP2 - HELIUM - XAS_TDP - NEGF - S-ALMO - CDFT - FPGA interface for pw FFT - Updated libraries: DBCSR, ELPA, libint, libxc, libxsmm. - Development moved from SVN to Git.https://twitter.com/plessl/status/1209457182095368197 …
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cosmo-epfl proslijedio/la je Tweet
Congratulations to the first
@COSMO_EPFL bake-off winners! The sweet and savory Guillaume (@__luthaf__) and Max (@veit_max)!pic.twitter.com/zkKxsuJUGp
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Thought that generalized Langevin equations for quantum nuclei were incompatible with dynamics? Think twice. Quantum dynamics on a shoestring, in our latest
#preprint. We also do#MachineLearning Raman and IR spectra, while we're at it https://arxiv.org/abs/1912.03189@nccr_marvelpic.twitter.com/KKEE55wBwk
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One more COSMO paper out today: ITRE - an iterative reweighting scheme for enhanced-sampling calculations. Congrats to coauthors Federico, Gareth and
@ChengBingqing! https://pubs.acs.org/doi/10.1021/acs.jctc.9b00907 …#HBMAP@ERC_Researchpic.twitter.com/LNWquHTzbN
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Hot from the press,
#openaccess and the result of a nice collaboration with an interdisciplinary team including@SuNMIL_EPFL and the group of@SylvieRoke, "Determination and evaluation of the nonadditivity in wetting of molecularly heterogeneous surfaces" https://www.pnas.org/content/early/2019/11/27/1916180116 …pic.twitter.com/Zzg8g657kw
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.... and congrats to Natasha, who won the prize for the best flash talk! A day of awards, for past and present members of
@COSMO_EPFL!pic.twitter.com/fMs6GSw3wi
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Congratulations to
@ChengBingqing , who won one of the highly competitive EPFL prizes for her PhD thesis on atomistic modelling of nucleation. Well deserved!pic.twitter.com/BHGqWUvXYL
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