New paper out now: Molecular Modeling
of the Raman and SERS Response
of 6-Mercaptopurine: Tautomerism, Surface Coverage, and Charge
Transfer https://t.co/iGLASevEDi
How do structural geometries affect the excited state population of triplet states in pure organic molecules within ultrafast time scales? here is a detailed study for benchmark systems with our Italian peers
https://t.co/GEuNV4O2lf
Grazie ad un supercomputer e all’Intelligenza Artificiale si è scoperto come rendere più facile ed efficiente la produzione di idrogeno a partire dall’ammoniaca, in modo da portare la produzione di energia verso un futuro sempre più 'green'.
@IITalk
https://t.co/N8DC9LFSUU
📢Call For Papers
How accurate are excited state simulations? This Special Topic will feature the community’s predictions around an upcoming cyclobutanone photochemistry experiment! @toddjmartinez @MarioBarbatti @insilphotochem
Learn more: https://t.co/CKDovFCk2q
☀️☀️So happy to welcome many new members in the group these days!
Hans Georg , Umberto, Marziogiuseppe, Meritxell and @GaurabGanguly2
Great science awaiting with you!
@stem_univie@ItodysC & #LPCT@tremb@cata_light @MSCActions
Presentato oggi a Napoli il protocollo di intesa per una nuova sede di CINECA🧮, con un centro di supercalcolo interconnesso al supercomputer Leonardo🌀. Rappresenterà uno dei nodi dell'ecosistema europeo del calcolo ad alte prestazioni nel Mezzogiorno.
https://t.co/1CG6h4hcdE
@thecraftatunina at @DscUnina and #SSM presents a cheap and accurate computational approach driven by unsupervised learning clustering to get UV-Vis spectra from MD simulations of challenging systems.
👉Visit and see more at:
🔗https://t.co/QTB1vsKyv8
#OnTheCover Cover Feature of Issue 4: Norbornadiene/Quadricyclane System: The Role of Rydberg States and Dynamic Electronic Correlation in a Solar-Thermal Building Block (M.Pastore and co-workers) https://t.co/cJbORuvMQc @UAHes @Univ_Lorraine @CNRS https://t.co/eVRkYw5I3x
Physics Photo Of The Day:
Last photo of Einstein's desk taken just hours after he passed away on April 18th, 1955.
Photo taken by Ralph Morse from Life Magazine.
Norbornadiene/Quadricyclane System in the Spotlight: The Role of Rydberg States and Dynamic Electronic Correlation in a Solar-Thermal Building Block (M.Marazzi, M.Pastore and colleagues @UAHes @Univ_Lorraine @CNRS) https://t.co/C82IEaDJmG
A brand new review about simulating ultrafast #photoinduced processes in complex environments and the crucial role of initial conditions @thecraftatunina https://t.co/aQakfJcnNP
Richard Feynman in a conversation with his hero – physicist and Nobel laureate Paul Dirac, who is considered to be one of the pioneers of quantum mechanics, Warsaw c. 1963.
Both Dirac and Feynman have had significant contributions to QED.