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A Unified Heterogeneous Implementation of Numerical Atomic Orbitals-Based Real-Time TDDFT within the ABACUS Package

Announce Type: replace-cross Abstract: We present a unified heterogeneous computing framework for real-time time-dependent density functional theory (RT-TDDFT) based on numerical atomic orbitals (NAOs), implemented in the ABACUS package. We introduce three co-designed abstraction layers, including unified data containers, unified linear algebra operators, and unified grid integration interfaces. These layers collectively accelerate the two most demanding parts of NAO-based RT-TDDFT: explicit...

arXiv Physics 6d ago

Calls for inquiry into all royal finances after Andrew subletting revelations

MPs urged to push for ‘radical reform’ after NAO finds former prince made income from Royal Lodge propertiesCampaigners have called for radical reform and a public inquiry into all royal finances after revelations that Andrew Mountbatten-Windsor received an undisclosed private income from subletting three cottages on his Royal Lodge estate while paying a “peppercorn rent”. A report from the public spending watchdog, the National Audit Office (NAO), found the rental income went to the former...

The Guardian UK 4d ago

Calls for inquiry into all royal finances after Andrew subletting revelations

MPs urged to push for ‘radical reform’ after NAO finds former prince made income from Royal Lodge propertiesCampaigners have called for radical reform and a public inquiry into all royal finances after revelations that Andrew Mountbatten-Windsor received an undisclosed private income from subletting three cottages on his Royal Lodge estate while paying a “peppercorn rent”. A report from the public spending watchdog, the National Audit Office (NAO), found the rental income went to the former...

The Guardian Business 4d ago

Warning millions of UK households missing out on energy bill support as debt climbs to £7bn

Warning millions of UK households missing out on energy bill support as debt climbs to £7bn Watchdog says household energy debt has risen 118% since start of Ukraine war - Bookmark - CommentsGo to comments Millions of households are missing out on support for essential bills such as water, energy and broadband as their debt to firms climbs to more than £7 billion, the public spending watchdog said. The National Audit Office (NAO) found only a third of eligible broadband customers and 39% of...

The Independent UK 8h ago

Should King Charles be paying Eugenie and Beatrice's rent? Take our poll and have your say

Should King Charles be paying Eugenie and Beatrice's rent? Take our poll and have your say A report released by the National Audit Office has revealed that the monarch has been paying for his niece’s rent in royal residences, despite them not being working members of the Firm King Charles has been paying for Princesses Beatrice and Eugenie’s rent at their homes within royal residences, a new report has found. In a lengthy report issued by the National Audit Office (NAO), it has been revealed...

Daily Mirror 4d ago

GPU Acceleration of Collinear and Noncollinear DFT Using a Numerical Atomic Orbital-Based DFT Code

new Abstract: We implement GPU acceleration of collinear and noncollinear density functional theory (DFT) calculations in the numerical atomic orbitals (NAOs) code OpenMX by offloading matrix multiplications and eigenvalue solves (plus selected auxiliary steps) to cuBLAS/cuSOLVER and OpenACC. Benchmarks on the Pegasus supercomputer (per node: a 48-core Intel Xeon Platinum 8468 CPU and one NVIDIA H100 GPU) compare GPU-accelerated and CPU-only runs under identical settings. For a 512-atom...

arXiv Physics 1d ago

Inside lavish homes caught in royal row as Beatrice and Eugenie's rent is paid by Charles

Inside lavish homes caught in royal row as Beatrice and Eugenie's rent is paid by Charles A new National Audit Office (NAO) report has caused outrage after it revealed some members of the Royal Family were paying no rent while others were earning an income from subletting King Charles could be spending more than £278,000 a year to cover the housing costs of Princess Beatrice and Princess Eugenie at royal residences, according to estimates from a property valuer. The daughters of Andrew...

Daily Mirror 3d ago

Andrew sublet three cottages while paying ‘peppercorn rent’ to crown estate

Report into royal property affairs reveals disgraced ex-prince generated private income from Windsor Royal LodgeAndrew Mountbatten-Windsor received private income from subletting three cottages on his Windsor Royal Lodge estate while paying a “peppercorn rent” to the crown estate, a report into royal property arrangements has revealed. The National Audit Office (NAO) review also shows that King Charles pays an “adjusted” rent from his private Duchy of Lancaster income, below open market...

The Guardian UK 5d ago

Downing Street rejects US claim of ‘two-tiered policing’ over Henry Nowak death - UK politics live

PM’s spokesperson also dismissed remarks from Kemi Badenoch, who suggested the identity politics could lead to civil warA former chair of an influential parliamentary committee said it was “shocking” that the public spending watchdog had not established Andrew Mountbatten-Windsor’s income from subletting properties. Margaret Hodge, who led the public accounts committee, told BBC Radio 4’s Today programme she was “very concerned” that the National Audit Office (NAO) was not able to find out...

The Guardian UK 4d ago

Peer ‘shocked’ that watchdog has not established Andrew’s property income

Margaret Hodge concerned over use of taxpayers’ money after revelations about former prince’s sublettingUK politics live – latest updatesA former chair of an influential parliamentary committee said it was “shocking” that the public spending watchdog had not established Andrew Mountbatten-Windsor’s income from subletting properties. Margaret Hodge, who led the public accounts committee, told BBC Radio 4’s Today programme she was “very concerned” that the National Audit Office (NAO) was not...

The Guardian World 4d ago