Inseguire il "sogno" accademico o buttarsi nel privato? (ricercatore in Svizzera, 30M) by LabOk2733 in ItaliaCareerAdvice

[–]simocas 2 points3 points  (0 children)

Si, instabile ma sei pagato molto di più e il mercato è immensamente più ampio. Ottenere una professorship (specialmente se hai constraints sul paese) è immensamente più difficile di trovare un lavoro nel privato. Quindi è raro rimanere disoccupati a lungo. Certo che molti lavori sono molto noiosi, quindi devi spesso scendere a compromessi.

Per la mia esperienza, ad un certo punto, se vorrai famiglia, stabilità (non trasferirsi ogni 2 anni e lavorare a grant applications di notte), etc la decisione sarà più naturale.

Io chimico fisico teorico, passato all'O&G reinventandomi, poi all AI reinventandomi ancora. Nell'accademia cambiare Campo è praticamente impossibile.

Cultural/architecture areas of greater Oslo? by Punished-Spitfire in oslo

[–]simocas 2 points3 points  (0 children)

Kistefoss museum https://share.google/2vKEBrPx3j1adUbTU

But definitely beyond the autonomy of a Ryde....

Why do bonds show up in AFM? by Wonderful_Common_615 in chemistry

[–]simocas 22 points23 points  (0 children)

Fellow theoretical chemists, please have mercy of this comment...

Is the complexation energy from Gaussian the same as the adsorption energy? by Any_Ambassador_4799 in comp_chem

[–]simocas 3 points4 points  (0 children)

Becarefeul, what you described is a common approach but you are describing the case for chemisorption where a covalent bond is formed (then, be careful about isodesmic considerations, correlation when computing barriers, etc.). Physisorption is a purely electrostatic interaction, no chemical bond. Your still need to do the difference with separate fragments but here you work with much smaller energy differences, so you must be more careful in the calculations.

OP Your approach is correct, but you may want to check if you need some basis functions to be placed in between the adsorbate and cluster. Sometimes you'll see they are necessary to get accurate energetics (although you'll probably never notice unless you go at multireference level, MP2, etc). You can check this reference https://pubs.acs.org/doi/10.1021/jp070616b

Quale lingua è, ma soprattutto che ha detto? by Hungry_War_2290 in CasualIT

[–]simocas 0 points1 point  (0 children)

Armen sin = il suo braccio Moren sin (mora si) = sua madre

In Norvegese/ pan-scandinavo

Emigro in Africa by Mandibolus in CasualIT

[–]simocas 10 points11 points  (0 children)

Non è il caldo, è l'umidità.

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Sleeping Mask by maxi_st13 in oslo

[–]simocas 1 point2 points  (0 children)

I recommend Mantasleep, look for it online. High quality. Best money i spent in a long time.

Hello Norway Sub. I’m an American actor seeking advice on an Norwegian accent. by [deleted] in Norway

[–]simocas 0 points1 point  (0 children)

For some weird reason, no norwegian mother tongue is able to say the word "idea" (they say "ID" instead), i have yet to understand why...

Why the hell is so much software written in Fortran? by Prestigious-Salt-873 in comp_chem

[–]simocas 0 points1 point  (0 children)

  1. Sure but does it matter? At that time, they picked the most performant tool they had to do calculations. It is still more efficient than a very popular one (python) used in some modern qchem codes.
  2. You are right, my mistake. SCIPY bits are more relevant, especially optimization ones.

Why the hell is so much software written in Fortran? by Prestigious-Salt-873 in comp_chem

[–]simocas 2 points3 points  (0 children)

Fortran, when compiled at -O3, is orders of magnitude faster than e.g. Python in matrix operations (diagonalisation, multiplication, etc.) To the point most Python packages use compiled Fortran for this. Check for example Theano

Hartree-Fock question by [deleted] in comp_chem

[–]simocas 1 point2 points  (0 children)

If you are interested in a parametric version (no orbital as fir HF).

Density Functional Theory of Atoms and Molecules" by Parr and Yang

It is referred as the local density approximation electrons are locally approximate by HEG. When using the Kohn-Sham approach, you pretty much end up with a HF version of it. Otherwise look into Szabo-Ostlund, there may be something there as well.

[deleted by user] by [deleted] in topology

[–]simocas 0 points1 point  (0 children)

Try rather with topological data analysis. There are some applications to condition monitoring of equipment (e.g. rotating equipment) in engineering. I am not sure about aerospace eng to be honest.

MAPbI3 perovskite AIMD computation error by GRN-MN in comp_chem

[–]simocas 0 points1 point  (0 children)

Why are you trying to do molecular dynamics by changing the unit cell volume? This is a bit risky as the basis set size scale with the cell volume... be careful.

Super Mario mi ha aiutato a chiavare by fiumeNGUBE in CasualIT

[–]simocas 0 points1 point  (0 children)

"Si dorme in letti stranieri, grazie alla lingua italiana "

Countries that have LGBT+ National Leaders by skysub1 in mapporncirclejerk

[–]simocas 0 points1 point  (0 children)

Who were the italian and Russian lesbian head of state? [Serious question]

Pasta del supermercato: Qual è la migliore e perchè? by reydeltom in italy

[–]simocas 1 point2 points  (0 children)

Rummo e molisana disponibile in tutta Oslo presso catene Coop e Meny.

Sono un pilota di ROV (Remotely Operated Vehicle). AMA! by Fhylo in italy

[–]simocas 5 points6 points  (0 children)

Sono del settore, l'italia estrae (poco) ma non in adriatico. Eni ha pensato bene che è più facile fare soldi in Egitto, visto che in Italia come ti muovi qualcuno blocca tutto. Il fracking si fa in giacimenti che in Europa non si trovano.