@Fil_Lipparini profile picture
Filippo Lipparini @Fil_Lipparini

Love ranting about stuff, especially FORTRAN stuff.

Joined January 2013
  • Tweets 267
  • Following 185
  • Followers 441
37 Photos and videos
Merry Christmas everyone! youtube.com/watch?v=wXx_1pZV…

Vivaldi: Gloria: Gloria in excelsis Deo

Provided to YouTube by Universal Music GroupVivaldi: Gloria: Glor...

youtube.com
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The Molecular Wavefunction Methods Summer School registration is open until April 30th! Check it out and apply here: mwm.dcci.unipi.it #compchem
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Alessandra Savarese successfully defended her M.Sc. (with honors) working on a theoretical and experimental astrochemistry project! Here between the two very proud advisors! @MolecolabPisa @rotcomp @CPuzzarini
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Filippo Lipparini retweeted
Molecolab Pisa@MolecolabPisa
7 Jan 2025
CFour meets #PolarizableEmbedding! Check out our new paper introducing the interface between #CFour and #OpenMMPol, enabling #CASSCF geometry optimizations and excited-state calculations in a polarizable environment. doi.org/10.1002/jcc.27550 #compchem #molecolab @T_Nottoli

A Polarizable CASSCF/MM Approach Using the Interface Between OpenMMPol Library and Cfour

Including mutual polarization effects in quantum mechanics/molecular mechanics (QM/MM) approaches is important especially when excited states are involved. Here we present a polarizable embedding...

onlinelibrary.wiley.com
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Menomale che Sergio c'è
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Fa che gli sia dolce anche l'acqua nelle scarpe, anche la solitudine...
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Congratulations boss!!!
Molecolab Pisa@MolecolabPisa
8 Oct 2024
Prof. Benedetta Mennucci was appointed as corresponding member to the “Accademia Nazionale dei Lincei”! • Congratulations boss!! @BMennucci • ➡️lincei.it/it/node/11019 #molecolab #moleconews #compchem #theoreticalchemistry
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Filippo Lipparini retweeted
DCCI UniPisa@ChemUniPi
1 Oct 2024
Congratulations to @DavideCianchino, reaserch assistant at @ChemUnipi in the @MolecolabPisa group, for winning the best poster prize at the international conference "Molecular Electronic Structure 2024"! 🏆 #MES2024
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Filippo Lipparini retweeted
Molecolab Pisa@MolecolabPisa
23 Sep 2024
“Four-component relativistic calculations at reduced cost: a Cholesky decomposition implementation” • @DavideCianchino presenting his poster at the “International Conference on Molecular Electronic Structure” #MES2024 #molecolab #cholesky #coupledcluster #compchem
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Filippo Lipparini retweeted
Molecolab Pisa@MolecolabPisa
23 Sep 2024
“An Efficient Implementation of Coupled Cluster with Cholesky Decomposition and Point-group Symmetry.” • @T_Nottoli presenting at the “International Conference on Molecular Electronic Structure” #MES2024 #molecolab #coupledcluster #compchem #symmetry #cholesky
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Filippo Lipparini retweeted
The Journal of Physical Chemistry@JPhysChem
17 Sep 2024
Four-component relativistic Coupled Cluster calculations at the price of non-relativistic ones using Cholesky Decomposition. @Davide_Cianchino @T_Nottoli @Fil_Lipparini @MolecolabPisa go.acs.org/aS9

Cholesky Decomposition in Spin-Free Dirac–Coulomb Coupled-Cluster Calculations

We present an implementation for the use of Cholesky decomposition (CD) of two-electron integrals within the spin-free Dirac–Coulomb (SFDC) scheme that enables to perform high-accuracy coupled-clus...

pubs.acs.org
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Filippo Lipparini retweeted
Molecolab Pisa@MolecolabPisa
13 Sep 2024
Spin-free relativistic calculations, Coupled-Cluster and Cholesky decomposition! Check out our new JPhysChem in collaboration with the group of professor Jürgen Gauss. @Fil_Lipparini @T_Nottoli @DavideCianchino #molecolab #compchem #cholesky #ccsd pubs.acs.org/doi/full/10.102…

Cholesky Decomposition in Spin-Free Dirac–Coulomb Coupled-Cluster Calculations

We present an implementation for the use of Cholesky decomposition (CD) of two-electron integrals within the spin-free Dirac–Coulomb (SFDC) scheme that enables to perform high-accuracy coupled-clus...

pubs.acs.org
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Medaglia d'oro!!!!!!!!! #Paris2024 #volleyball #italvolley
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Check out our latest review summarizing ten years of domain decomposition for continuum solvation, bridging the gap between quantum chemistry and biophysics! wires.onlinelibrary.wiley.co… #compchem #ddX #solvation @MicheleNottoli1

ddX: Polarizable continuum solvation from small molecules to proteins

Polarizable continuum solvation from small molecules to proteins.

wires.onlinelibrary.wiley.com
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Want to try ddX out? Just download our opensource implementation: github.com/ddsolvation/ddX

GitHub - ddsolvation/ddX: Fast continuum solvation based on domain decomposition

Fast continuum solvation based on domain decomposition - ddsolvation/ddX

github.com
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Very excited to have this paper out, where we show that using a polarizable embedding makes a *qualitative* difference when computing optical rotation! Check it out: #compchem #AMOEBA #OpticalRotation pubs.acs.org/doi/10.1021/acs… @LCupellini @chiarapelosi_12 @MicheleNottoli1

Importance of Polarizable Embedding for Computing Optical Rotation: The Case of Camphor in Ethanol

Solvation effects on optical rotation are notoriously challenging to model for computational chemistry, as the specific rotatory power of a molecule can vary wildly going from apolar to polar or even...

pubs.acs.org
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Took me almost 48 hours, but I finally made it to Telluride! #CoupledCluster #tsrc
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Thank you @Lufthansa_DE for screwing up also the return trip, making the overall experience really, really frustrating (including 8 hours of layover instead than a nice day in Copenhagen)....
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Hey @Lufthansa_DE, every day you get a little bit more similar to @DB_Bahn. And I most certainly don't mean it as a compliment...
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Filippo Lipparini retweeted
TINKERtools@TINKERtoolsMD
26 May 2024
The Tinker Developers Workshop 2024 will take place from Wednesday 29th to Friday 31st of May 2024 at the University of Pisa’s conference center “Le Benedettine”. #compchem molecolab.dcci.unipi.it/tink…
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