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Optimization techniques play an important role in several scientific and real-world applications, thus becoming of great interest for the community. As a consequence, a number of open-source libraries are available in the literature, which…
The construction of highly incoherent frames, sequences of vectors placed on the unit hyper sphere of a finite dimensional Hilbert space with low correlation between them, has proven very difficult. Algorithms proposed in the past have…
We introduce Lemon, an MPI parallel I/O library that is intended to allow for efficient parallel I/O of both binary and metadata on massively parallel architectures. Motivated by the demands of the Lattice Quantum Chromodynamics community,…
ZKCM is a C++ library developed for the purpose of multiprecision matrix computation, on the basis of the GNU MP and MPFR libraries. It provides an easy-to-use syntax and convenient functions for matrix manipulations including those often…
Quantum control optimization algorithms are routinely used to generate optimal quantum gates or efficient quantum state transfers. However, there are two main challenges in designing efficient optimization algorithms, namely overcoming the…
The purpose of this paper is to introduce Condensed-Matter-Laboratory (CML) application for simulating solids and nanostructures and calculating different properties of them by density functional theory and using Green's function theory in…
Many problems in robotics require reasoning over a mix of continuous dynamics and discrete events, such as making and breaking contact in manipulation and locomotion. These problems are locally well modeled by linear complementarity…
Computing correlation functions in strongly-interacting quantum systems is one of the most important challenges of modern condensed matter theory, due to their importance in the description of many physical observables. Simultaneously, this…
Through recent progress in hardware development, quantum computers have advanced to the point where benchmarking of (heuristic) quantum algorithms at scale is within reach. Particularly in combinatorial optimization - where most algorithms…
In the quest to unlock the maximum potential of quantum sensors, it is of paramount importance to have practical measurement strategies that can estimate incompatible parameters with best precisions possible. However, it is still not known…
Lately, propelled by the phenomenal advances around the transformer architecture, the legal NLP field has enjoyed spectacular growth. To measure progress, well curated and challenging benchmarks are crucial. However, most benchmarks are…
Automated Machine Learning (AutoML) is used more than ever before to support users in determining efficient hyperparameters, neural architectures, or even full machine learning pipelines. However, users tend to mistrust the optimization…
We present an open source Python 3 library aimed at practitioners of molecular simulation, especially Monte Carlo simulation. The aims of the library are to facilitate the generation of simulation data for a wide range of problems; and to…
The advent of cloud quantum computing has led to the rapid development of quantum algorithms. In particular, it is necessary to study variational quantum-classical hybrid algorithms, which are executable on noisy intermediate-scale quantum…
In quantum physics, multiparticle systems are described by quantum states acting on tensor products of Hilbert spaces. This product structure leads to the distinction between product states and entangled states; moreover, one can quantify…
In general the calculation of robustness of entanglement for the mixed entangled quantum states is rather difficult to handle analytically. Using the the convex semi-definite programming method, the robustness of entanglement of some mixed…
The progression of scientific computing resources has enabled the numerical approximation of mathematical models describing complex physical phenomena. A significant portion of researcher time is typically dedicated to the development of…
We develop an optimization framework for identifying ideal Mixed Binary Linear Programs (MBLP) which is linear when using known input data and nonconvex quadratic over parametric input data. These techniques are applied to various…
$T, p$ flash calculations determine the correct number of phases at phase equilibrium and their compositions for fixed temperature and pressure. They are essential for chemical process simulation and optimization. The convex envelope method…
Entanglement properties are routinely used to characterize phases of quantum matter in theoretical computations. For example the spectrum of the reduced density matrix, or so-called "entanglement spectrum", has become a widely used…