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A very robust and efficient hybrid analytic-numerical Fock build, aMECP+aCOSx, has been developed for accelerating HF/DFT calculations. The essential idea is to extract those portions of the Fock matrix that can readily be evaluated…

Chemical Physics · Physics 2024-11-05 Yong Zhang , Rongding Lei , Bingbing Suo , Wenjian Liu

We report on the status of the Fermilab-MILC calculation of the form factor f_+^{K pi}(0), needed to extract the CKM matrix element |V_{us}| from experimental data on K semileptonic decays. The HISQ formulation is used in the simulations…

High Energy Physics - Lattice · Physics 2011-11-09 E. Gamiz , C. DeTar , A. X. El-Khadra , A. S. Kronfeld , P. B. Mackenzie , J. Simone

We examine the effect of using complexity-reducing relations to generate optimized code for the evaluation of finite element variational forms. The optimizations are implemented in a prototype code named FErari, which has been integrated as…

Numerical Analysis · Mathematics 2012-05-15 Robert C. Kirby , Anders Logg

We present a new library designed to provide a simple and straightforward way to implement QM/AMOEBA and other polarizable QM/MM methods based on induced point dipoles. The library, herein referred to as OpenMMPol, is free and open-sourced…

Quantum computing holds the promise of solving problems intractable for classical computers, but practical large-scale quantum computation requires error correction to protect against errors. Fault-tolerant quantum computing (FTQC) enables…

Quantum Physics · Physics 2025-09-04 Meng Wang , Chenxu Liu , Sean Garner , Samuel Stein , Yufei Ding , Prashant J. Nair , Ang Li

In this paper the C++ version of FIRE is presented - a powerful program performing Feynman integral reduction to master integrals. All previous versions used only Wolfram Mathematica, the current version mostly uses Wolfram Mathematica as a…

High Energy Physics - Phenomenology · Physics 2015-05-20 Alexander V. Smirnov

Functional integrals are central to modern theories ranging from quantum mechanics and statistical thermodynamics to biology, chemistry, and finance. In this work we present a new method for calculating functional integrals based on a…

Mathematical Physics · Physics 2023-09-22 Amos A. Hari , Sefi Givli

To synthesize Maxwell optics systems, the mathematical apparatus of tensor and vector analysis is generally employed. This mathematical apparatus implies executing a great number of simple stereotyped operations, which are adequately…

Symbolic Computation · Computer Science 2016-05-04 D. S. Kulyabov

The Graspg program package is an extension of Grasp2018 [Comput. Phys. Commun. 237 (2019) 184-187] based on configuration state function generators (CSFGs). The generators keep spin-angular integrations at a minimum and reduce substantially…

Atomic Physics · Physics 2025-04-18 Ran Si , Yanting Li , Kai Wang , Chongyang Chen , Gediminas Gaigalas , Michel Godefroid , Per Jönsson

Many quantum programs require circuits for addition, subtraction and logical operations. These circuits may be packaged within routines known as oracles. However, oracles can be tedious to code with current frameworks. To solve this problem…

Quantum Physics · Physics 2021-10-26 Ayush Tambde

HepLib is a C++ Library for computations in High Energy Physics, it works on top of GiNaC, a well-established C++ library used to perform symbolic computations. HepLib combines serval well-known packages to get high efficiency, including…

High Energy Physics - Phenomenology · Physics 2021-05-19 Feng Feng , Yi-Fan Xie , Qiu-Chen Zhou , Shan-Rong Tang

In these proceedings the publicly available program SecDec is briefly described. Its main virtues and new features are summarized, including suggestions for an optimal usage of the program.

High Energy Physics - Phenomenology · Physics 2016-01-20 S. Borowka

Factorization machine with quadratic-optimization annealing (FMQA) is a black-box optimization method that combines a factorization machine (FM) surrogate with QUBO-based search by an Ising machine. When FMQA is applied to integer or…

Machine Learning · Computer Science 2026-05-07 Taiga Hayashi , Yuya Seki , Kotaro Terada , Yosuke Mukasa , Shuta Kikuchi , Shu Tanaka

Convex quadratic programs (QPs) constitute a fundamental computational primitive across diverse domains including financial optimization, control systems, and machine learning. The alternating direction method of multipliers (ADMM) has…

Optimization and Control · Mathematics 2025-05-15 Xi Gao , Jinxin Xiong , Linxin Yang , Akang Wang , Weiwei Xu , Jiang Xue

We introduce a symbolic method for the evaluation of definite integrals containing combinations of various functions, including exponentials, logarithm and products of Bessel functions of different types. The method we develop is naturally…

Classical Analysis and ODEs · Mathematics 2011-11-04 D. Babusci , G. Dattoli

We present a new program package for calculating one-loop Feynman integrals, based on a new method avoiding Feynman parametrization and the contraction due to Passarino and Veltman. The package is calculating one-, two- and three-point…

High Energy Physics - Phenomenology · Physics 2007-05-23 Lars Brucher , Johannes Franzkowski

Medical calculators are fundamental to quantitative, evidence-based clinical practice. However, their real-world use is an adaptive, multi-stage process, requiring proactive EHR data acquisition, scenario-dependent calculator selection, and…

Artificial Intelligence · Computer Science 2026-02-02 Yakun Zhu , Yutong Huang , Shengqian Qin , Zhongzhen Huang , Shaoting Zhang , Xiaofan Zhang

It has been verified that the linear programming (LP) is able to formulate many real-life optimization problems, which can obtain the optimum by resorting to corresponding solvers such as OptVerse, Gurobi and CPLEX. In the past decades, a…

Optimization and Control · Mathematics 2022-01-19 Xijun Li , Qingyu Qu , Fangzhou Zhu , Jia Zeng , Mingxuan Yuan , Kun Mao , Jie Wang

A new method for robust estimation, MAGSAC++, is proposed. It introduces a new model quality (scoring) function that does not require the inlier-outlier decision, and a novel marginalization procedure formulated as an iteratively…

Computer Vision and Pattern Recognition · Computer Science 2019-12-13 Daniel Barath , Jana Noskova , Maksym Ivashechkin , Jiri Matas

Many optimization problems arising in high-dimensional statistics decompose naturally into a sum of several terms, where the individual terms are relatively simple but the composite objective function can only be optimized with iterative…

Optimization and Control · Mathematics 2016-06-30 Rina Foygel Barber , Emil Y. Sidky
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