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In this technical paper we introduce the Tensor Network Theory (TNT) library -- an open-source software project aimed at providing a platform for rapidly developing robust, easy to use and highly optimised code for TNT calculations. The…

Quantum Physics · Physics 2017-10-11 Sarah Al-Assam , Stephen R. Clark , Dieter Jaksch

Recently, there has been an increasing interest in modelling and computation of physical systems with neural networks. Hamiltonian systems are an elegant and compact formalism in classical mechanics, where the dynamics is fully determined…

Numerical Analysis · Mathematics 2022-06-28 Elena Celledoni , Andrea Leone , Davide Murari , Brynjulf Owren

We propose a new molecular simulation framework that combines the transferability, robustness and chemical flexibility of an ab initio method with the accuracy and efficiency of a machine learned force field. The key to achieve this mix is…

Computational Physics · Physics 2020-01-08 Sebastian Dick , Marivi Fernandez-Serra

Quantum states are very delicate, so it is likely some sort of quantum error correction will be necessary to build reliable quantum computers. The theory of quantum error-correcting codes has some close ties to and some striking differences…

Quantum Physics · Physics 2007-05-23 Daniel Gottesman

We introduce a novel quantum programming language featuring higher-order programs and quantum controlflow which ensures that all qubit transformations are unitary. Our language boasts a type system guaranteeingboth unitarity and…

Logic in Computer Science · Computer Science 2024-03-06 Alejandro Díaz-Caro , Emmanuel Hainry , Romain Péchoux , Mário Silva

This work is a conceptual analysis of certain recent developments in the mathematical foundations of Classical and Quantum Mechanics which have allowed to formulate both theories in a common language. From the algebraic point of view, the…

History and Philosophy of Physics · Physics 2016-12-12 Federico Zalamea

New method of quantization is presented. It is based on classical Newton-Lagrange equations of motion (representing the fundamental physical law of mechanics) rather than on their traditional Lagrangian and/or Hamiltonian precursors. It is…

High Energy Physics - Theory · Physics 2011-02-01 Denis Kochan

Code based Language Models (LMs) have shown very promising results in the field of software engineering with applications such as code refinement, code completion and generation. However, the task of time and space complexity classification…

Software Engineering · Computer Science 2023-05-26 Kaushik Moudgalya , Ankit Ramakrishnan , Vamsikrishna Chemudupati , Xing Han Lu

This paper studies the expressive and computational power of discrete Ordinary Differential Equations (ODEs), a.k.a. (Ordinary) Difference Equations. It presents a new framework using these equations as a central tool for computation and…

Logic in Computer Science · Computer Science 2022-09-27 Olivier Bournez , Arnaud Durand

In loop quantum cosmology the quantum dynamics is well understood. We approximate the full quantum dynamics in the infinite dimensional Hilbert space by projecting it on a finite dimensional submanifold thereof, spanned by suitably chosen…

General Relativity and Quantum Cosmology · Physics 2008-11-26 Victor Taveras

We present an algebraic view on logic programming, related to proof theory and more specifically linear logic and geometry of interaction. Within this construction, a characterization of logspace (deterministic and non-deterministic)…

Logic in Computer Science · Computer Science 2014-06-10 Clément Aubert , Marc Bagnol , Paolo Pistone , Thomas Seiller

Many-body localization was proven under realistic assumptions by constructing a quasi-local unitary rotation that diagonalizes the Hamiltonian (Imbrie, 2016). A natural generalization is to consider all unitaries that have a similar…

Quantum Physics · Physics 2017-08-29 Evgeny Mozgunov

Diagonalization in the spirit of Cantor's diagonal arguments is a widely used tool in theoretical computer sciences to obtain structural results about computational problems and complexity classes by indirect proofs. The Uniform…

Computational Complexity · Computer Science 2019-02-22 Friederike Anna Dziemba

This library (collection of subroutines) is presented for calculating standard quantities in the decomposition of many-electron matrix elements in atomic structure theory. These quantities include the coefficients of fractional parentage,…

Atomic Physics · Physics 2007-05-23 G. Gaigalas

In a world made of atoms, the computer simulation of molecular systems, such as proteins in water, plays an enormous role in science. Software packages that perform these computations have been developed for decades. In molecular…

Chemical Physics · Physics 2024-08-07 Philipp Hoellmer , A. C. Maggs , Werner Krauth

Given a first-order autonomous algebraic ordinary differential equation, we present a method for computing formal power series solutions by means of places. We provide an algorithm for computing a full characterization of possible initial…

Symbolic Computation · Computer Science 2018-11-15 Sebastian Falkensteiner , J. Rafael Sendra

Paper is devoted to maintaining the simple objective: We want to provide Hamiltonian canonical form for autonomous dynamical system reducible to even-dimensional one. Along the road we construct new class of conserved quantities, called…

Mathematical Physics · Physics 2020-08-28 Artur Kobus

Stabilizer code quantum Hamiltonians have been introduced with the intention of physically realizing a quantum memory because of their resilience to decoherence. In order to analyze their finite temperature thermodynamics, we show how to…

Quantum Physics · Physics 2019-12-11 Zack Weinstein , Gerardo Ortiz , Zohar Nussinov

Teaching object-oriented programming in an introductory programming course poses considerable challenges to the instructor. An often advocated approach to meeting this challenge is the use of a simple, object-oriented graphics library. We…

Computers and Society · Computer Science 2007-05-23 Bruce R. Childers , James P. Cohoon , Jack W. Davidson , Peter Valle

This is a draft of the textbook/monograph that presents computability theory using string diagrams. The introductory chapters have been taught as graduate and undergraduate courses and evolved through 8 years of lecture notes. The later…

Logic in Computer Science · Computer Science 2023-03-29 Dusko Pavlovic