Useful report and chart on what Great British Railways will (or might) actually do when the nationalised firm is set up soon
www.futuregovernanceforum.co.uk/wp-content/u...
www.futuregovernanceforum.co.uk/wp-content/u...
June 1, 2026 at 2:41 PM
Useful report and chart on what Great British Railways will (or might) actually do when the nationalised firm is set up soon
www.futuregovernanceforum.co.uk/wp-content/u...
www.futuregovernanceforum.co.uk/wp-content/u...
Special collection in Theor. Chem. Acc. still open for submissions! (Guest Editor: Daniele Padula, U. Siena - Italy) #theochem #compchem #machinelearning #DFT
November 27, 2024 at 9:32 AM
Special collection in Theor. Chem. Acc. still open for submissions! (Guest Editor: Daniele Padula, U. Siena - Italy) #theochem #compchem #machinelearning #DFT
February 20, 2025 at 2:38 PM
i'll gladly fuck with u oomf im literally always dft ,,,
May 13, 2026 at 12:01 AM
i'll gladly fuck with u oomf im literally always dft ,,,
BREAKING: The U.S. bishops’ Committee on Doctrine just issued a formal statement defending Pope Leo XIV's teaching authority on just war doctrine — less than twelve hours after JD Vance told a Turning Point USA crowd the pope should “be careful” talking theology.
This is a serious escalation.
This is a serious escalation.
April 15, 2026 at 5:59 PM
🌀New release in Org. Lett.
–we’ve made the first cyclic U-shaped dibenzophenazine homodimer, unveiling unexpected photophysics and a new kinked heteroarylene topology. Congrats Naohiro! #PiSky
doi.org/10.1021/acs....
–we’ve made the first cyclic U-shaped dibenzophenazine homodimer, unveiling unexpected photophysics and a new kinked heteroarylene topology. Congrats Naohiro! #PiSky
doi.org/10.1021/acs....
Synthesis and Photophysical Properties of Cyclic Homodimer of U-Shaped Dibenzophenazinylene
A new class of cyclic π-extended heteroarylene oligomer─cyclic homodimer of U-shaped dibenzophenazinylene─has been successfully synthesized and characterized. NMR spectroscopy and DFT calculations imp...
doi.org
October 9, 2025 at 3:36 AM
🌀New release in Org. Lett.
–we’ve made the first cyclic U-shaped dibenzophenazine homodimer, unveiling unexpected photophysics and a new kinked heteroarylene topology. Congrats Naohiro! #PiSky
doi.org/10.1021/acs....
–we’ve made the first cyclic U-shaped dibenzophenazine homodimer, unveiling unexpected photophysics and a new kinked heteroarylene topology. Congrats Naohiro! #PiSky
doi.org/10.1021/acs....
Ja sam počela danas i svidjela mi se pa sam prestala jer postoji šansa da se svidi i mom klošaru.
A onda sam upalila DFT St Louis iako me ti glumci nerviraju.
I jako mi je dobra, samo joj treba dopustiti da ode u smjeru kojeg nisam očekivala (al to se dogodi u prvoj epizodi)
A onda sam upalila DFT St Louis iako me ti glumci nerviraju.
I jako mi je dobra, samo joj treba dopustiti da ode u smjeru kojeg nisam očekivala (al to se dogodi u prvoj epizodi)
April 13, 2026 at 7:17 PM
Ja sam počela danas i svidjela mi se pa sam prestala jer postoji šansa da se svidi i mom klošaru.
A onda sam upalila DFT St Louis iako me ti glumci nerviraju.
I jako mi je dobra, samo joj treba dopustiti da ode u smjeru kojeg nisam očekivala (al to se dogodi u prvoj epizodi)
A onda sam upalila DFT St Louis iako me ti glumci nerviraju.
I jako mi je dobra, samo joj treba dopustiti da ode u smjeru kojeg nisam očekivala (al to se dogodi u prvoj epizodi)
We have written to the DfT about the status of 26 local road schemes that were not given the go-ahead but were left in limbo.
It is important that the DfT is clear and transparent with the public about the future prospects of these schemes. transportactionnetwork.org.uk/wp-content/u...
It is important that the DfT is clear and transparent with the public about the future prospects of these schemes. transportactionnetwork.org.uk/wp-content/u...
transportactionnetwork.org.uk
May 6, 2026 at 3:28 PM
We have written to the DfT about the status of 26 local road schemes that were not given the go-ahead but were left in limbo.
It is important that the DfT is clear and transparent with the public about the future prospects of these schemes. transportactionnetwork.org.uk/wp-content/u...
It is important that the DfT is clear and transparent with the public about the future prospects of these schemes. transportactionnetwork.org.uk/wp-content/u...
pubs.acs.org/doi/10.1021/...
Our last contribution to disclose which method can efficiently predict the excited-state Hund’s rule violation: collaboration between @ctm-itodys.bsky.social , U. Namur (Belgium) and our group!
#theochem #compchem #DFT #theochemsky #compchemsky
Our last contribution to disclose which method can efficiently predict the excited-state Hund’s rule violation: collaboration between @ctm-itodys.bsky.social , U. Namur (Belgium) and our group!
#theochem #compchem #DFT #theochemsky #compchemsky
Searching the Best Double-Hybrid Density Functional to Correctly Predict the Singlet–Triplet Excited-State Inversion in Organic Systems
The theoretically disclosed, and experimentally confirmed, energy inversion of the lowest singlet (S1) and triplet (T1) excited states of organic molecules (i.e., Hund’s rule violation) is investigate...
pubs.acs.org
December 11, 2024 at 6:10 PM
pubs.acs.org/doi/10.1021/...
Our last contribution to disclose which method can efficiently predict the excited-state Hund’s rule violation: collaboration between @ctm-itodys.bsky.social , U. Namur (Belgium) and our group!
#theochem #compchem #DFT #theochemsky #compchemsky
Our last contribution to disclose which method can efficiently predict the excited-state Hund’s rule violation: collaboration between @ctm-itodys.bsky.social , U. Namur (Belgium) and our group!
#theochem #compchem #DFT #theochemsky #compchemsky
Dinuclear Fe(II) Spin-Crossover Complex Deposited on the Au(111) Surface: Exploration Based on Quantum-Chemistry Calculations | Inorganic Chemistry pubs.acs.org/doi/10.1021/... Calzado & co-workers @InorgChem #ferrous #SCO #Au111 #QuantumChem #DFT #VASP #U #LSLS #LSHS #HSHS #FethiazAu
March 13, 2025 at 12:47 AM
Dinuclear Fe(II) Spin-Crossover Complex Deposited on the Au(111) Surface: Exploration Based on Quantum-Chemistry Calculations | Inorganic Chemistry pubs.acs.org/doi/10.1021/... Calzado & co-workers @InorgChem #ferrous #SCO #Au111 #QuantumChem #DFT #VASP #U #LSLS #LSHS #HSHS #FethiazAu
New paper from Borguet and Zdilla Labs! Plus John Perdew!
Comparison of meta-GGAs, DFT+𝑈 corrections, and hybrid functionals for polaronic point defects in layered MnO2, NiO2, and KCoO2.
R.K. Sah, M.J. Zdilla, E. Borguet, and J.P. Perdew
Phys. Rev. B 110, 184114 – Published 20 November, 2024
Comparison of meta-GGAs, DFT+𝑈 corrections, and hybrid functionals for polaronic point defects in layered MnO2, NiO2, and KCoO2.
R.K. Sah, M.J. Zdilla, E. Borguet, and J.P. Perdew
Phys. Rev. B 110, 184114 – Published 20 November, 2024
Comparison of meta-GGAs, $\mathrm{DFT}+U$ corrections, and hybrid functionals for polaronic point defects in layered ${\mathrm{MnO}}_{2}$, ${\mathrm{NiO}}_{2}$, and ${\mathrm{KCoO}}_{2}$
Defects in a material can significantly tune properties and enhance utility. Hybrid functionals like HSE06 are often used to describe solids with such defects. However, geometry optimization (includin...
journals.aps.org
November 26, 2024 at 3:55 PM
New paper from Borguet and Zdilla Labs! Plus John Perdew!
Comparison of meta-GGAs, DFT+𝑈 corrections, and hybrid functionals for polaronic point defects in layered MnO2, NiO2, and KCoO2.
R.K. Sah, M.J. Zdilla, E. Borguet, and J.P. Perdew
Phys. Rev. B 110, 184114 – Published 20 November, 2024
Comparison of meta-GGAs, DFT+𝑈 corrections, and hybrid functionals for polaronic point defects in layered MnO2, NiO2, and KCoO2.
R.K. Sah, M.J. Zdilla, E. Borguet, and J.P. Perdew
Phys. Rev. B 110, 184114 – Published 20 November, 2024
Andrew C. Burgess, David D. O'Regan: Validity of DFT+U band gaps in all its known functional forms https://arxiv.org/abs/2604.25706 https://arxiv.org/pdf/2604.25706 https://arxiv.org/html/2604.25706
April 29, 2026 at 6:53 AM
Andrew C. Burgess, David D. O'Regan: Validity of DFT+U band gaps in all its known functional forms https://arxiv.org/abs/2604.25706 https://arxiv.org/pdf/2604.25706 https://arxiv.org/html/2604.25706
New preprint out overnight! 🎉 We show that DFT+U+V is — to first order in V/U — DFT+U acting on hybridized, density-dependent (!) projectors: +V doesn't add new physics so much as change where the +U correction is applied 🥸
with Alberto Carta and Nicola Marzari
arxiv.org/abs/2607.18071
with Alberto Carta and Nicola Marzari
arxiv.org/abs/2607.18071
July 21, 2026 at 8:49 AM
New preprint out overnight! 🎉 We show that DFT+U+V is — to first order in V/U — DFT+U acting on hybridized, density-dependent (!) projectors: +V doesn't add new physics so much as change where the +U correction is applied 🥸
with Alberto Carta and Nicola Marzari
arxiv.org/abs/2607.18071
with Alberto Carta and Nicola Marzari
arxiv.org/abs/2607.18071
#AI4AM2025
Teaching neural nets about oxidation states? Yes!
MaX partner Cristiano Malica (@unibremen.bsky.social) showed how DFT+U+V & ML help model redox chemistry, vital for battery materials.
#Materials #AI #MaXCoE
Teaching neural nets about oxidation states? Yes!
MaX partner Cristiano Malica (@unibremen.bsky.social) showed how DFT+U+V & ML help model redox chemistry, vital for battery materials.
#Materials #AI #MaXCoE
April 9, 2025 at 3:33 PM
#AI4AM2025
Teaching neural nets about oxidation states? Yes!
MaX partner Cristiano Malica (@unibremen.bsky.social) showed how DFT+U+V & ML help model redox chemistry, vital for battery materials.
#Materials #AI #MaXCoE
Teaching neural nets about oxidation states? Yes!
MaX partner Cristiano Malica (@unibremen.bsky.social) showed how DFT+U+V & ML help model redox chemistry, vital for battery materials.
#Materials #AI #MaXCoE
POV: *me holding up a 25/26 Skyray like those guys with fish on instagram*
May 10, 2026 at 12:44 AM
POV: *me holding up a 25/26 Skyray like those guys with fish on instagram*
There are currently only 9 in-universe "robot" typed creatures, all from DFT. I'm curious to see how that number is going to change in Edge of Eternities. Will we see 20+ new robots suddenly? Will the set have *any* Constructs? 🤔
#Vorthos
#Vorthos
May 29, 2025 at 4:41 PM
There are currently only 9 in-universe "robot" typed creatures, all from DFT. I'm curious to see how that number is going to change in Edge of Eternities. Will we see 20+ new robots suddenly? Will the set have *any* Constructs? 🤔
#Vorthos
#Vorthos
Turn 5 for the above combo and then turn 6 is the scryfall.com/card/dft/57/... river churn and exhaust to deck them out?
Riverchurn Monument
{1}{U} • Artifact • {1}, {T}: Any number of target players each mill two cards. (Each of them puts the top two cards of their library into their graveyard.) Exhaust — {2}{U}{U}, {T}: Any number of tar...
scryfall.com
November 22, 2025 at 11:15 PM
Turn 5 for the above combo and then turn 6 is the scryfall.com/card/dft/57/... river churn and exhaust to deck them out?
Density Functional Theory Study of the Electronic, Structural, and Optical Properties of ZrS2 and ZrSeS: Showcasing a Thorough Analysis Using DFT and DFT+U http://dx.doi.org/10.1021/acsomega.5c13541
June 9, 2026 at 2:30 PM
Density Functional Theory Study of the Electronic, Structural, and Optical Properties of ZrS2 and ZrSeS: Showcasing a Thorough Analysis Using DFT and DFT+U http://dx.doi.org/10.1021/acsomega.5c13541
The one thing the US has done to save 25 million lives and DFT is shutting it down.
(Also pausing all other foreign aid programs, some of which support Christian refugees, wonder how the Evangelical MAGA feel about it)
www.nytimes.com/2025/01/24/u...
(Also pausing all other foreign aid programs, some of which support Christian refugees, wonder how the Evangelical MAGA feel about it)
www.nytimes.com/2025/01/24/u...
Trump Pauses Disbursements to Program Supplying H.I.V. Treatment Worldwide
Pepfar, which is estimated to have delivered lifesaving treatment to as many as 25 million people in 54 countries, faces a funding delay of as long as 180 days.
www.nytimes.com
January 25, 2025 at 3:54 PM
The one thing the US has done to save 25 million lives and DFT is shutting it down.
(Also pausing all other foreign aid programs, some of which support Christian refugees, wonder how the Evangelical MAGA feel about it)
www.nytimes.com/2025/01/24/u...
(Also pausing all other foreign aid programs, some of which support Christian refugees, wonder how the Evangelical MAGA feel about it)
www.nytimes.com/2025/01/24/u...
📣 Workshop reminder for 'The determination of Hubbard parameters: progress, pitfalls, and prospects'.
Gandía Beach, Valencia, Spain ☀️
22-26 Sept 2025.
Sponsored by Psi-k & NCCR MARVEL.
Register by 30 April.
For more: sites.google.com/view/hubbard-workshop-2025
#DFT+U #CondensedMatter #compchem
Gandía Beach, Valencia, Spain ☀️
22-26 Sept 2025.
Sponsored by Psi-k & NCCR MARVEL.
Register by 30 April.
For more: sites.google.com/view/hubbard-workshop-2025
#DFT+U #CondensedMatter #compchem
sites.google
March 20, 2025 at 11:38 AM
📣 Workshop reminder for 'The determination of Hubbard parameters: progress, pitfalls, and prospects'.
Gandía Beach, Valencia, Spain ☀️
22-26 Sept 2025.
Sponsored by Psi-k & NCCR MARVEL.
Register by 30 April.
For more: sites.google.com/view/hubbard-workshop-2025
#DFT+U #CondensedMatter #compchem
Gandía Beach, Valencia, Spain ☀️
22-26 Sept 2025.
Sponsored by Psi-k & NCCR MARVEL.
Register by 30 April.
For more: sites.google.com/view/hubbard-workshop-2025
#DFT+U #CondensedMatter #compchem
🚆 Government plans are unveiled for Northern Powerhouse Rail
✅ New Liverpool–Manchester line via Manchester Airport
✅ Faster, more reliable services
✅ More capacity for commuters & businesses
✅ Jobs, homes & growth across the North West of England
dft-newsroom.prgloo.com/news/north-w...
✅ New Liverpool–Manchester line via Manchester Airport
✅ Faster, more reliable services
✅ More capacity for commuters & businesses
✅ Jobs, homes & growth across the North West of England
dft-newsroom.prgloo.com/news/north-w...
North West to benefit from multi-billion-pound rail investment
Brand new rail line between Liverpool and Manchester unveiled, via new stations at Manchester Airport, and Warrington Bank Quay Low Level
Part of new Government vision for growth in the North to u...
dft-newsroom.prgloo.com
January 14, 2026 at 12:12 AM
🚆 Government plans are unveiled for Northern Powerhouse Rail
✅ New Liverpool–Manchester line via Manchester Airport
✅ Faster, more reliable services
✅ More capacity for commuters & businesses
✅ Jobs, homes & growth across the North West of England
dft-newsroom.prgloo.com/news/north-w...
✅ New Liverpool–Manchester line via Manchester Airport
✅ Faster, more reliable services
✅ More capacity for commuters & businesses
✅ Jobs, homes & growth across the North West of England
dft-newsroom.prgloo.com/news/north-w...
Grand Union writes to DfT after U-turn in stance on cross-country open access plan
www.railmagazine.com/news/2025/02...
www.railmagazine.com/news/2025/02...
March 4, 2025 at 10:11 AM
Grand Union writes to DfT after U-turn in stance on cross-country open access plan
www.railmagazine.com/news/2025/02...
www.railmagazine.com/news/2025/02...
Here's my #NomadTierList and predictions for #DFT.
www.17lands.com/tier_list/fa...
From the games I've played the format seems to favour late game decks, with cheap interaction making it tough for aggro to push through. As such I've rated control cards higher than aggressive ones.
G/U > R > W > B
www.17lands.com/tier_list/fa...
From the games I've played the format seems to favour late game decks, with cheap interaction making it tough for aggro to push through. As such I've rated control cards higher than aggressive ones.
G/U > R > W > B
February 11, 2025 at 1:21 AM
Here's my #NomadTierList and predictions for #DFT.
www.17lands.com/tier_list/fa...
From the games I've played the format seems to favour late game decks, with cheap interaction making it tough for aggro to push through. As such I've rated control cards higher than aggressive ones.
G/U > R > W > B
www.17lands.com/tier_list/fa...
From the games I've played the format seems to favour late game decks, with cheap interaction making it tough for aggro to push through. As such I've rated control cards higher than aggressive ones.
G/U > R > W > B
Submitted my picks for the #DFT #P0P1 challenge.
Initially had GW as best archetype due to the banger uncommons... but first impressions mean I'm down on aggro so swapped Lagorin for Broadside Barrage last minute.
Wanted to include more U but wasn't as confident in the top cards as I was for G.
Initially had GW as best archetype due to the banger uncommons... but first impressions mean I'm down on aggro so swapped Lagorin for Broadside Barrage last minute.
Wanted to include more U but wasn't as confident in the top cards as I was for G.
February 11, 2025 at 3:18 AM
Had impromptu coaching from @meowodic.bsky.social on stream tonight. Learned a bit more on playing Pixie & feeling more confident in the deck!
Overall a positive winrate with the archetype but ended up on the list below.
Got to Diamond for the night too!
@fireshoes.bsky.social
Overall a positive winrate with the archetype but ended up on the list below.
Got to Diamond for the night too!
@fireshoes.bsky.social
April 15, 2025 at 7:36 AM
Had impromptu coaching from @meowodic.bsky.social on stream tonight. Learned a bit more on playing Pixie & feeling more confident in the deck!
Overall a positive winrate with the archetype but ended up on the list below.
Got to Diamond for the night too!
@fireshoes.bsky.social
Overall a positive winrate with the archetype but ended up on the list below.
Got to Diamond for the night too!
@fireshoes.bsky.social