Related papers: Modular implementation of the linear and cubic-sca…
Any quantum program on a realistic quantum device must be compiled into an executable form while taking into account the underlying hardware constraints. Stringent restrictions on architecture and control imposed by physical platforms make…
Creating a highly parallel and flexible discrete element software requires an interdisciplinary approach, where expertise from different disciplines is combined. On the one hand domain specialists provide interaction models between…
A scalable quantum information processing architecture based on silicon metal-oxide-semiconductor technology is presented, combining quantum hardware elements from planar and 3D silicon-on-insulator technologies. This architecture is…
Many areas of machine learning and science involve large linear algebra problems, such as eigendecompositions, solving linear systems, computing matrix exponentials, and trace estimation. The matrices involved often have Kronecker,…
Scenario-based stochastic optimal control problems suffer from the curse of dimensionality as they can easily grow to six and seven figure sizes. First-order methods are suitable as they can deal with such large-scale problems, but may fail…
We present a new adaptive method for electronic structure calculations based on novel fast algorithms for reduction of multivariate mixtures. In our calculations, spatial orbitals are maintained as Gaussian mixtures whose terms are selected…
The algorithms in the current sequential numerical linear algebra libraries (e.g. LAPACK) do not parallelize well on multicore architectures. A new family of algorithms, the tile algorithms, has recently been introduced. Previous research…
Computations over the rational numbers often encounter the problem of intermediate coefficient growth. A solution to this is provided by modular methods, which apply the algorithm under consideration modulo a number of primes and then lift…
The simulation of turbulence in the boundary region of a tokamak is crucial for understanding and optimizing the performance of fusion reactors. In this work, the use of low-rank linear algebra techniques is shown to enhance the efficiency…
We present CubismAMR, a C++ library for distributed simulations with block-structured grids and Adaptive Mesh Refinement. A numerical method to solve the incompressible Navier-Stokes equations is proposed, that comes with a novel approach…
We have developed and implemented a self-consistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical LCAO basis set, which includes multiple-zeta and polarization orbitals. Exchange and…
In a recent publication we showed that permutation symmetry reduces the numerical complexity of Lindblad quantum master equations for identical multi-level systems from exponential to polynomial scaling. This is important for open system…
Modern software engineering of electronic structure codes has seen a paradigm shift from monolithic workflows towards object-based modularity. Software objectivity allows for greater flexibility in the application of electronic structure…
We consider minimization problems with bisubmodular objective functions. We propose valid inequalities, namely the poly-bimatroid inequalities, and provide a complete linear description of the convex hull of the epigraph of a bisubmodular…
Elliptic curve cryptography (ECC) is widely used in security applications such as public key cryptography (PKC) and zero-knowledge proofs (ZKP). ECC is composed of modular arithmetic, where modular multiplication takes most of the…
Sparse linear system solvers ($Ax=b$) are critical computational kernels in Electronic Design Automation (EDA), underpinning vital simulations for modern IC and system design. Applications like power integrity verification and…
The Conflict-Driven Cylindrical Algebraic Covering algorithm has proven well suited for performing theory validation checks in the satisfiability modulo theories paradigm for non-linear real arithmetic. CDCAC repurposes the theory…
Combinatorial optimization problems play a central role in computer science with many real world applications. A number of relevant problems remain computationally difficult to solve as they lie in the NP-hard complexity class. We present a…
Modular and networked quantum architectures can scale beyond the qubit count of a single device, but executing a circuit across modules requires implementing non-local two-qubit gates using shared entanglement (ebits) and classical…
Optimization problems associated with the interaction of linked particles are at the heart of polymer science, protein folding and other important problems in the physical sciences. In this review we explain how to recast these problems as…