Related papers: BIGSTICK: A flexible configuration-interaction she…
One approach for solving interacting many-fermion systems is the configuration-interaction method, also sometimes called the interacting shell model, where one finds eigenvalues of the Hamiltonian in a many-body basis of Slater determinants…
MiMiC is a framework for performing multiscale simulations in which loosely coupled external programs describe individual subsystems at different resolutions and levels of theory. To make it highly efficient and flexible, we adopt an…
The configuration-interaction shell model is an effective and widely-used approach to the nuclear many-body problem, whose main drawback is the exponential growth of the basis dimension. An useful way to character nuclear shell-model…
Many-Fermion Dynamics-nuclear, or MFDn, is a configuration interaction (CI) code for nuclear structure calculations. It is a platform-independent Fortran 90 code using a hybrid MPI+X programming model. For CPU platforms the application has…
A new code for nuclear shell-model calculations, "KSHELL", is developed. It aims at carrying out both massively parallel computation and single-node computation in the same manner. We solve the Schr\"{o}dinger's equation in the $M$-scheme…
This paper addresses the challenges of solving the quantum many-body problem, particularly within nuclear physics, through the configuration interaction (CI) method. Large-scale shell model calculations often become computationally…
Large language models (LLMs) have revolutionized numerous applications, yet their deployment remains challenged by memory constraints on local devices. While scaling laws have enhanced LLM capabilities, the primary bottleneck has shifted…
The numerical simulation of multiphase flows involving dispersed components with large scale disparities, such as the collisions between millimeter-sized bubbles and micron-sized mineral particles in flotation, poses a significant…
We present a three-dimensional (3D) partitioned aeroelastic formulation for a flexible multibody system interacting with incompressible turbulent fluid flow. While the incompressible Navier-Stokes system is discretized using a stabilized…
Particle-wall interactions play a crucially important role in various applications such as microfluidic devices for cell sorting, particle separation, entire class of hydrodynamic filtration and its derivatives, etc. Yet, accurate…
MiMiC is a flexible and efficient framework for multiscale simulations in which different subsystems are treated by individual client programs. In this work, we present a new interface with OpenMM to be used as an MM client program and we…
We introduce a Markov Chain Monte Carlo (MCMC) algorithm that dramatically accelerates the simulation of quantum many-body systems, a grand challenge in computational science. State-of-the-art methods for these problems are severely limited…
Soft, slender structures are ubiquitous in natural and engineered systems, with broad application potential from biomimetic materials to soft robotics. However, there is a notable lack of computational tools that simultaneously preserve…
Task-based programming models have become very popular, as they offer an attractive solution to parallelize serial application code with task and data annotations. They usually depend on a runtime system that schedules the tasks to multiple…
To effectively handle clustering task for large-scale datasets, we propose a novel scalable skeleton clustering algorithm, namely GBSK, which leverages the granular-ball technique to capture the underlying structure of data. By…
We present MISTIQS, a Multiplatform Software for Time-dependent Quantum Simulations. MISTIQS delivers end-to-end functionality for simulating the quantum many-body dynamics of systems governed by time-dependent Heisenberg Hamiltonians…
In this paper, we present MASTISK (MAchine-learning and Synaptic-plasticity Technology Integrated Simulation frameworK). MASTISK is an open-source versatile and flexible tool developed in MATLAB for design exploration of dedicated…
We present a novel mathematical framework for the specification and analysis of fault-resilient distributed protocols and their implementations, with the following components: 1. Transition systems that allow the specification and analysis…
Scaling up hardware systems has become an important tactic for improving performance as Moore's law fades. Unfortunately, simulations of large hardware systems are often a design bottleneck due to slow throughput and long build times. In…
We present a multi-scale computational framework suitable for designing solid lubricant interfaces fully in silico. The approach is based on stochastic thermodynamics founded on the classical thermally activated two-dimensional…