Darío BL

Yo siento insistir mucho en esto, pero ni soñéis que vamos a olvidar lo que decíais y de qué lado estabais mientras Israel cometía el mayor genocidio del S XXI.

Israeli strikes kill nearly 100 in Gaza on fifth day of offensive Netanyahu casts military operations as ‘negotiations under fire’ tactic to pressure Hamas over hostages

Israeli strikes kill nearly 100 in Gaza on fifth day of offensive

https://www.ft.com/content/133cc248-47bb-4b6b-8f0e-a7b6fb7de79e

Segundos en Eurovisión pero primeros en atrocidades.

Two panels—one on top of the other—with each panel showing black-and-white illustrations of two walruses. In each panel, grey triangular fields extend from one of the walrus' eyes, showing the field of view. The walrus in the top panel is looking over its shoulders at the second walrus; a walrus in the bottom panel has its head raised and is looking straight ahead at the walrus in front of it.

Two panels—one on top of the other—with each panel showing black-and-white illustrations of walruses. In each panel, grey triangular fields extend from one of the walrus' eyes, showing the field of view. The walrus in the top panel is looking down at a smaller walrus; the walrus in the bottom panel is looking down at the seafloor.

Please enjoy these delightful images from a 1993 paper on walrus vision, showing estimated visual fields in different poses (I especially love how they look like alternate covers for a scifi novel about space walruses with ray-shooting eyeballs)

Source: www.aquaticmammalsjournal.org/wp-content/u...

Chess problem of the day.

Mate in 2.

Yesterday I attended the second DAN III meeting and had the opportunity to visit the HFML-FELIX facilities. Yeah, it was really cool.

Investigating the Origin of Automatic Rhodopsin Modeling Outliers Using the Microbial Gloeobacter Rhodopsin as Testbed The automatic rhodopsin modeling (ARM) approach is a computational workflow devised for the automatic buildup of hybrid quantum mechanics/molecular mechanics (QM/MM) models of wild-type rhodopsins and mutants, with the purpose of establishing trends in their photophysical and photochemical properties. Despite the success of ARM in accurately describing the visible light absorption maxima of many rhodopsins, for a few cases, called outliers, it might lead to large deviations with respect to experiments. Applying ARM toGloeobacter rhodopsin (GR), a microbial rhodopsin with important applications in optogenetics, we analyze the origin of such outliers in the absorption energies obtained for GR wild-type and mutants at neutral pH, with a total root-mean-square deviation (RMSD) of 0.42 eV with respect to the experimental GR excitation energies. Having discussed the importance and the uncertainty of one particular amino-acid pKa, namely histidine at position 87, we propose and test several modifications to the standard ARM protocol: (i) improved pKa predictions along with the consideration of several protonation microstates, (ii) attenuation of the opsin electrostatic potential at short-range, (iii) substitution of the state-average complete active space (CAS) electronic structure method by its state-specific approach, and (iv) complete replacement of CAS with mixed-reference spin-flip time-dependent density functional theory (MRSF-TDDFT). The best RMSD result we obtain is 0.2 eV combining the protonation of H87 and using MRSF/CAMH-B3LYP.

My paper from my postdoc in Marseille was published just before Christmas.

A dive into one of the most ambitious protocols for Rhodopsin modeling.

pubs.acs.org/doi/10.1021/...

Gukesh has now revealed his winning team:
🇵🇱 Grzegorz Gajewski
🇵🇱 Radoslaw Wojtaszek
🇮🇳 Pentala Harikrishna
🇩🇪 Vincent Keymer
🇵🇱 Jan-Krzysztof Duda
🇵🇱 Jan Klimkowski
🇮🇳 Vishy Anand
🇿🇦 Paddy Upton

Qué maravilla Gukesh. Tenemos nuevo campeón del mundo y tiene solo 18 años.

How Game 2 of the FIDE World Championship feels like right now.

Let's go Ding!!

@chess.com

#Chess #DingGukesh

Amazing talk by Thanja Lamberts at the #ReedijkSymposium. She talked about her work in the field of astrochemistry and the importance of surface chemistry, low temperature, low density, element availability, timescales and telescopes for her research. pubs.acs.org/doi/10.1021/...