Top Tweets for #SIESTAcode
📰 The Theory & Simulation Group was recently at the #MolecularModelling 2025 Conference in Australia, where it contributed with:
🔹Invited workshop on the latest advances in the #SIESTAcode
🔹Invited talk
🔹Poster presentation
🔹Contributed talk
🤝 Congrats!
#projectALCOAT
Our paper is out in which we used the new time evolution integrator recently implemented in the #SIESTAcode to simulate nonlinear stopping for electrons in water
Nonlinear electronic stopping of negatively charged particles in liquid water, Natalia E. Koval et al @nanoGUNE @CFMdonostia @DeptofPhysics @ifn_upm @Ikerbasque @DIPCehu @BIRA_IASB @Esc2R #ChemicalPhysics #SoftMatter https://t.co/xI8nEU4JUh
SIMUNE's team has created a set of static binaries of #SIESTAcode. The binaries are compiled for various platforms: #UBUNTU, #Debian, #MacOS, #Windows. Please visit SIMUNE's web-page to download them and explore the full potential of #SiestaDFT:
https://t.co/ZG0zt5zMLz
Prof. Pablo Ordejón (@ICN2), one of main developers of #SIESTAcode, give a full quantum description of transport simulations at the nanoscale:
https://t.co/Lf9dgBBhAl
This video is a part of the MaX project @max_center-2 webminars on the developments of #SiestaDFT code.
The MaX project #max_center-2 has prepared a webminar presenting the most recent developments of the #SiestaDFT: https://t.co/gfyumQXp1C
In this video Prof. Emilio Artacho shows how #SIESTAcode evolved during the last 25 years:
https://t.co/kwmIlCfMTZ
De Souza https://t.co/YTg810PGHe. used #DFT (#SIESTAcode) and #MD to study mechanical properties of penta- #graphene membrane and showed that it can withstand up to 20% of strain without fracture: https://t.co/qUFjbWDXCK
Yann Pouillon (SIMUNE) will provide an overview of SIESTA compilation and deployment with the ESL Bundle and EasyBuild frameworks at the#CECAM organised SIESTA summer school “First-principles simulations of materials with #SIESTAcode” taking place 28 June - 2 July 2021.
Work published in @PhysRevB https://t.co/w2wPI0jaqD confirms by three methods, including #AIMD simulations with the #SIESTAcode, the structural metastability of twelve 2D group-IV #monochalcogenide monolayers with a buckled honeycomb structure and P3m1 symmetry.
Summer #SIESTAcode school organised in partnership with #CECAM will be running in a virtual form June 28 - July 2, 2021.
https://t.co/FjSxKt3Zm6
Summer #SIESTAcode school organised in partnership with #CECAM will be running in a virtual form June 28 - July 2, 2021.
https://t.co/U8gJ8a4YGw
Summer #SIESTAcode school organised in partnership with #CECAM will be running in a virtual form June 28 - July 2, 2021.
https://t.co/U8gJ8a4YGw
Anchieta da Silva et al. using #SIESTAcode showed that GaN #nanotube (GaNNT) can be used to detect and remove #airpollutant: NH3, NO2 and SO2 molecules from the environment. NH3 and NO2 adsorbed on the nanotube can be easily desorbed making GaNNT reusable.
SIMUNE's team has created a set of static binaries of the #SIESTAcode compiled for various platforms: #UBUNTU, #Debian, #MacOS, #Windows. Please visit our web-page to download and explore the full potential of #SIESTAcode:
https://t.co/oEh6nu9izb
#SIESTAcode for #nanocatalysis by A. Lyalin etal: gold nanoparticles on h-BN/Au(111) surface exhibit catalytic activity for oxygen reduction #ORR #catalysis #DFT.
https://t.co/ewzOUZ5GdO
R. Cuadrado https://t.co/YTg810PGHe used #SIESTAcode for fully relativistic noncollinear spin-#DFT formalism. They obtained magnetic state of vanadium oxyfluoride V7O6F18, not accessible by conventional unconstrained DFT. @icn2nano @UABBarcelona @icmabCSIC
https://t.co/U1YP9ZJpIk
SIMUNE's team has created a set of static binaries of the \#SIESTAcode compiled for various platforms: \#UBUNTU, \#Debian, \#MacOS, \#Windows. Please visit our web-page to download and explore the full potential of SIESTA:
https://t.co/oEh6nu9izb
M. Blanco-Rey etal applied #SIESTAcode and second-order perturbation theory to calculate magnetocrystalline #anisotropy energies (MAE) of tetragonal FeMe #alloys (Me=Co, Cu, Pd, Pt, Au) and FeMe (Me=Co, Pt) bilayers. @DIPCehu @CFMdonostia @icmmcsic
https://t.co/ZiG0hB7VM7
Magnetic interaction at the interface between #antiferromagnetic #semiconductor BaMnO3 and #graphene has been studied by Z. Zanolli et al. with the #SIESTAcode and implemented noncollinear spins and Spin-Orbit Coupling.
https://t.co/qvzN8i36h9
⚛Computational high-throughput studies have been performed with the #SIESTAcode to virtually screen molecular candidates for organic solar cell class of materials 4mod BT-4TIC. D. López-Durán et al
📓https://t.co/yQiX8x4AqO
#Photovoltaics #OrganicSolarCells #SolarCells
⚛SIMUNE defined a protocol to generate transferable SIESTA basis set that have excellent performance in different environments (molecules and bulk).
💻Some of these basis sets are now downloadable from our web page.
📓Read more about it on: https://t.co/RHgOnNAKmE
#SIESTAcode
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