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Machine-learning models of atomic-scale interactions achieve the accuracy of the quantum mechanical calculations on which they are trained, but at a dramatically lower computational cost. Their predictions can be made trustworthy by…

We present an efficient approach to simulate real-time quantum dynamics using Projected Variational Quantum Dynamics (PVQD), where the computational cost is reduced by strategically optimizing only a subset of the variational parameters at…

Quantum Physics · Physics 2026-01-06 Harshdeep Singh , Sonjoy Majumder , Sabyashachi Mishra

In the forthcoming years the LHC experiments are going to be upgraded to benefit from the substantial increase of the LHC instantaneous luminosity, which will lead to larger, denser events, and, consequently, greater complexity in…

Quantum Physics · Physics 2026-03-10 Matteo Argenton , Laura Cappelli , Concezio Bozzi

Adaptive Variational Quantum Dynamics (AVQD) algorithms offer a promising approach to providing quantum-enabled solutions for systems treated within the purview of open quantum dynamical evolution. In this study, we employ the unrestricted…

Quantum Physics · Physics 2024-03-13 Saurabh Shivpuje , Manas Sajjan , Yuchen Wang , Zixuan Hu , Sabre Kais

This paper introduces QuanUML, an extension of the Unified Modeling Language (UML) tailored for quantum software systems. QuanUML integrates quantum-specific constructs, such as qubits and quantum gates, into the UML framework, enabling the…

Software Engineering · Computer Science 2025-06-06 Xiaoyu Guo , Shinobu Saito , Jianjun Zhao

NRQED approach to the fine and hyperfine structure corrections of order m$\alpha$ 6 and m$\alpha$ 6 (m/M)-Application to the hydrogen atom The NRQED approach is applied to the calculation of relativistic corrections to the fine and…

Atomic Physics · Physics 2020-02-12 Mohammad Haidar , Zhen-Xiang Zhong , Vladimir I. Korobov , Jean-Philippe Karr

Quantum dot (QD) lay-outs are becoming more complex as the technology is being applied to more complex multi-QD structures. This increase in complexity requires improved capacitance modeling both for design and accurate interpretation of QD…

The openQ*D code for the simulation of QCD+QED with C$^\star$ boundary conditions is presented. This code is based on openQCD-1.6, from which it inherits the core features that ensure its efficiency: the locally-deflated SAP-preconditioned…

We present an extension of the PatchworkMHD code [1], itself an MHD-capable extension of the Patchwork code [2], for which several algorithms presented here were co-developed. Its purpose is to create a multipatch scheme compatible with…

Dynamic quantum circuits with mid-circuit measurement and classical feedforward are essential for near-term algorithms such as error mitigation, adaptive phase estimation, and Variational Quantum Eigensolvers (VQE), yet transpiling these…

Quantum Physics · Physics 2026-04-14 Vinooth Kulkarni , Jaehyun Lee , Adam Hutchings , Anas Albahri , Jai Nana , Shuai Xu , Vipin Chaudhary

We construct quantum error-correcting codes that embed a finite-dimensional code space in the infinite-dimensional Hilbert state space of rotational states of a rigid body. These codes, which protect against both drift in the body's…

Quantum Physics · Physics 2020-09-09 Victor V. Albert , Jacob P. Covey , John Preskill

Time series anomaly detection is a pivotal task in data analysis, yet it poses the challenge of discerning normal and abnormal patterns in label-deficient scenarios. While prior studies have largely employed reconstruction-based approaches,…

Machine Learning · Computer Science 2025-08-05 Zhijie Zhong , Zhiwen Yu , Yiyuan Yang , Weizheng Wang , Kaixiang Yang

The UNEDF project was a large-scale collaborative effort that applied high-performance computing to the nuclear quantum many-body problem. UNEDF demonstrated that close associations among nuclear physicists, mathematicians, and computer…

Uncertainty quantification (UQ) is an important component of molecular property prediction, particularly for drug discovery applications where model predictions direct experimental design and where unanticipated imprecision wastes valuable…

Machine Learning · Computer Science 2020-05-21 Lior Hirschfeld , Kyle Swanson , Kevin Yang , Regina Barzilay , Connor W. Coley

The design of next-generation alloys through the Integrated Computational Materials Engineering (ICME) approach relies on multi-scale computer simulations to provide thermodynamic properties when experiments are difficult to conduct.…

Ultracold molecules confined in optical lattices or tweezer traps can be used to process quantum information and simulate the behaviour of many-body quantum systems. Molecules offer several advantages for these applications. They have a…

Quantum Gases · Physics 2024-01-11 Simon L. Cornish , Michael R. Tarbutt , Kaden R. A. Hazzard

We present AUQ-ADMM, an adaptive uncertainty-weighted consensus ADMM method for solving large-scale convex optimization problems in a distributed manner. Our key contribution is a novel adaptive weighting scheme that empirically increases…

Optimization and Control · Mathematics 2022-04-20 Jianping Ye , Caleb Wan , Samy Wu Fung

Quantum electrodynamics and electroweak corrections are important ingredients for many theoretical predictions at the LHC. This paper documents APFEL, a new PDF evolution package that allows for the first time to perform DGLAP evolution up…

High Energy Physics - Phenomenology · Physics 2015-06-17 Valerio Bertone , Stefano Carrazza , Juan Rojo

Quantum low-density parity-check (qLDPC) codes are an important component in the quest for quantum fault tolerance. Dramatic recent progress on qLDPC codes has led to constructions which are asymptotically good, and which admit linear-time…

Quantum Physics · Physics 2024-11-08 Louis Golowich , Venkatesan Guruswami

Based on a simple but effective regularization-renormalization method (RRM), the running coupling constants (RCC) of fermions with masses in quantum electrodynamics (QED) and quantum chromodynamics (QCD) are calculated by renormalization…

High Energy Physics - Phenomenology · Physics 2007-05-23 Guang-jiong Ni , Guo-hong Yang , Rong-tang Fu , Haibin Wang