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Frozen Natural Orbitals based Equation-of-motion coupled-cluster singles, doubles and triples for Ionized, Double-Ionized, Electron Attached and Two-Electron Attached states
Manisha, Prashant Uday Manohar
https://arxiv.org/abs/2509.14157

Frozen Natural Orbitals based Equation-of-motion coupled-cluster singles, doubles and triples for Ionized, Double-Ionized, Electron Attached and Two-Electron Attached states
In this work, we present frozen natural orbital (FNO) based implementations of equation-of-motion (EOM) coupled-cluster (CC) with singles, doubles, and triples (SDT) for ionization potential (IP), double ionization potential (DIP), electron attachment (EA), and double electron attachment (DEA) variants. For EOM-CC with singles and doubles (SD), the FNO approach has already been studied by Krylov and co-workers for IP variant and for spin-flipping and spin-conserving excited states (respectively…

Leveraging Digital Twin-as-a-Service Towards Continuous and Automated Cybersecurity Certification
Ioannis Koufos, Abdul Rehman Qureshi, Adrian Asensio, Allen Abishek, Efstathios Zaragkas, Ricard Vilalta, Maria Souvalioti, George Xilouris, Michael-Alexandros Kourtis
https://arxiv.org/abs/2509.07649 …

Leveraging Digital Twin-as-a-Service Towards Continuous and Automated Cybersecurity Certification
Traditional risk assessments rely on manual audits and system scans, often causing operational disruptions and leaving security gaps. To address these challenges, this work presents Security Digital Twin-as-a-Service (SDT-aaS), a novel approach that leverages Digital Twin (DT) technology for automated, non-intrusive security compliance. SDT-aaS enables real-time security assessments by mirroring real-world assets, collecting compliance artifacts, and creating machine-readable evidence. The prop…

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