Cal at DFT
#dft #downtownfirstthursdays #downtownfirstthursdayssf #soma #downtownsf #doomloop #sfba #funko #funkopop #sanfrancisco #sanfranciscobay #esseff #thecity #bayarea #sfhellscape
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Hashtag
#DfT
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Free Palestine
#FreePalestine #freegaza #sunrisedeli #dft #downtownfirstthursdays #downtownfirstthursdayssf #soma #downtownsf #doomloop #sfba #funko #funkopop #sanfrancisco #sanfranciscobay #esseff #thecity #bayarea #sfhellscape
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Cal at 111 Minna
#langunitas #alittlesumpinsumpin #111minna #111minnagallery #dft #downtownfirstthursdays #downtownfirstthursdayssf #soma #downtownsf #doomloop #sfba #funko #funkopop #sanfrancisco #sanfranciscobay #esseff #thecity #bayarea #sfhellscape
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Cal at 111 Minna
Cal at 111 Minna
#langunitas #alittlesumpinsumpin #111minna #111minnagallery #dft #downtownfirstthursdays #downtownfirstthursdayssf #soma #downtownsf #doomloop #sfba #funko #funkopop #sanfrancisco #sanfranciscobay #esseff #thecity #bayarea #sfhellscape
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Cal at 111 Minna
#111minna #dft #downtownfirstthursdays #downtownfirstthursdayssf #soma #downtownsf #doomloop #sfba #funko #funkopop #sanfrancisco #sanfranciscobay #esseff #thecity #bayarea #sfhellscape
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Cal at DFT
#dft #downtownfirstthursdays #downtownfirstthursdayssf #soma #downtownsf #doomloop #sfba #funko #funkopop #sanfrancisco #sanfranciscobay #esseff #thecity #bayarea #sfhellscape
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As any computational chemist who uses #DFT knows, converging SCF can be tricky. Q-Chem's “Robust SCF” algorithm provides a black-box approach that automatically detects common convergence issues and makes the appropriate corrections. Read more here: manual.q-chem.com/6.4/sub_scf_...
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£27bn roads plan boosts renewals focus
#Infrastructure #SRN #RIS3 #DfT #NationalHighways
#GrosvenorTalent #Recruitment
www.concreteconnect.co.uk/news/ps27bn-...
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Recently, we also extended akamptisomerism beyond porphyrin, uncovering the key physical factors that control the energy barrier in both porphyrins and corroles (contracted analogues). #DFT #Openaccess #TheoreticalChemistry #Porphyrin | Inorganic Chemistry pubs.acs.org/doi/10.1021/...
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Excited-state chemistry meets akamptisomerism! We show that akamptisomerism in B2OF2-porphyrins is easier in the triplet state: a new light-driven photoswitching pathway. Open-acess paper. #DFT #Photoswitch #ChemTwitter #Photochemistry
Inorganic Chemistry pubs.acs.org/doi/full/10....
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🇮🇹 Just back from Erasmus+ Staff Mobility at Universita della Calabria (Cosenza) where I reunited with Prof. Nino Russo – 5 years after my PhD visit in 2021! Results? 4 new joint papers already outlined!
#ErasmusPlus #StaffMobility #UniCal #DFT #PDT #ComputationalChemistry
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Text reads: "On the road to Q-Chem 7. Key Feature of the Week: Density Functional Theory. Use our vast library of functionals to model ground and excited states; Get faster results with optimized integral algorithms, RI, and great parallel performance; Improve convergence with new features like “Robust SCF”"
Density functional theory is an essential method in any #compchem toolkit. Popular and general-purpose, it allows researchers to study electronic structure, predict geometries, model spectra, and much more. Follow along this week as we talk about #DFT in Q-Chem!
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V2Rho-FNO applies 3D Fourier Neural Operators to learn the Hohenberg-Kohn potential-to-density map, achieving zero-shot generalization to unseen molecules and resolution transfer via spectral zero-padding without retraining.
#QuantumChemistry #NeuralOperator #DFT
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GPU4PySCF מספקת האצה של עד פי 25 ביחס למעבד בעל 28 ליבות לחישובי DFT מסוג Kohn-Sham באמצעות גרעיני CUDA מותאמים המשיגים כ-80% מתפוקת FP64 השיא. חישוב אנרגיה וגרדיאנט של אשכול 256 מולקולות מים מסתיים תוך כ-30 שניות על GPU יחיד מסוג NVIDIA H100.
#כימיהקוונטית #האצתGPU #DFT
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GPU4PySCF đạt tốc độ nhanh hơn tới 25 lần so với CPU 28 nhân cho DFT Kohn-Sham thông qua các nhân CUDA tùy chỉnh đạt ~80% thông lượng FP64 đỉnh. Năng lượng và gradient của cụm 256 phân tử nước hoàn thành trong ~30 giây trên một GPU NVIDIA H100 duy nhất.
#HóaHọcLượngTử #TăngTốcGPU #DFT
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GPU4PySCF कस्टम CUDA कर्नेल के माध्यम से कोहन-शैम DFT के लिए 28-कोर CPU की तुलना में 25× तक की गति प्रदान करता है, जो ~80% पीक FP64 थ्रूपुट प्राप्त करता है। एक एकल NVIDIA H100 GPU पर 256-जल क्लस्टर की ऊर्जा+ग्रेडिएंट गणना ~30 सेकंड में पूरी होती है।
#क्वांटमरसायनशास्त्र #GPUत्वरण #DFT
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GPU4PySCF delivers up to 25× speedup over 28-core CPU for Kohn-Sham DFT via custom CUDA kernels achieving ~80% peak FP64 throughput. A 256-water cluster energy+gradient completes in ~30s on a single NVIDIA H100 GPU.
#QuantumChemistry #GPUAcceleration #DFT
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2/ Government regs re obstructions to windscreens have been in place since 2010 www.gov.uk/government/p...
Roads police have been handing out £100 FPNs for years.
Does no one in #DfT check this stuff @simonlightwood.org.uk @heidialexander.bsky.social before publication?
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Picture used in the RIS3 document - a driver fiddles with a mobile phone attached to the windscreen under the rear view mirror, in the swept zone of the windscreen
#HMG #DfT published the Road Investment Strategy 3 (#RIS3) this morning. Page num'd 13 of the pdf assets.publishing.service.gov.uk/media/69c426... , sectioned "Vision" has a picture of driver fiddling with a mobile phone under the rear view mirror.
It is an offence to put a device in this position.
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Materials Project, AFLOW, OQMD, or JARVIS-DFT: which one do you query first?
The answer depends on what you're measuring. We compared all four on coverage, DFT settings, and update cadence.
Full comparison → alloybase.app/blog/posts/m...
#MaterialsInformatics #ComputationalMaterialsScience #DFT
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Today's pack. (3/16/2026). What are you considering? What's your pick? What you hoping to wheel? #P1P1 #MTG #DFT #MTGAetherdrift #Aetherdrift #Draft #magicthegathering
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Today's pack. (3/15/2026). What are you considering? What's your pick? What you hoping to wheel? #P1P1 #MTG #DFT #MTGAetherdrift #Aetherdrift #Draft #magicthegathering
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Today's pack. (3/14/2026). What are you considering? What's your pick? What you hoping to wheel? #P1P1 #MTG #DFT #MTGAetherdrift #Aetherdrift #Draft #magicthegathering
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Today's pack. (3/13/2026). What are you considering? What's your pick? What you hoping to wheel? #P1P1 #MTG #DFT #MTGAetherdrift #Aetherdrift #Draft #magicthegathering
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Today's pack. (3/12/2026). What are you considering? What's your pick? What you hoping to wheel? #P1P1 #MTG #DFT #MTGAetherdrift #Aetherdrift #Draft #magicthegathering
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ウェブメディア #iConnect007 は、基板実装関連の電子書籍 “The Printed Circuit Assembler’s Guide to…™ ” シリーズの最新刊 “Design for Test: A Practical Guide to Test and Inspection” (テスト容易化設計 (DFT): テストと検査の実践ガイド) を公開。PDF版、全64頁。内容紹介とダウンロードは iconnect007.com/dft から。
#PCBAssembly #Guide #DFT
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#DFT #DunkelFellTanz #Furry #FurryFandom #Furdance #Nightlife #Party #Industrial #EBM #Darkmusic #Music #SchadowLeverkusen #Video #Photography #Fotografie
📷 2026-03-07 Dunkelfelltanz Mælstrom Shadow Leverkusen
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#DFT #DunkelFellTanz #Furry #FurryFandom #Furdance #Nightlife #Party #Industrial #EBM #Darkmusic #Music #SchadowLeverkusen #Video #Photography #Fotografie
Ein paar Impressionen+Videoclip vom Dunkelfelltanz Mælstrom im Shadow Leverkusen.
📷 2026-03-07 Dunkelfelltanz Mælstrom Shadow Leverkusen
🧵⤵️
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