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Distributions of electron waiting times have been measured in several recent experiments and have been shown to provide complementary information compared to what can be learned from the electric current fluctuations. Existing theories,…
Molecular dynamics refers to the computer simulation of a material at the atomic level. An open problem in numerical analysis is to explain the apparent reliability of molecular dynamics simulations. The difficulty is that individual…
Priority queues are used in a wide range of applications, including prioritized online scheduling, discrete event simulation, and greedy algorithms. In parallel settings, classical priority queues often become a severe bottleneck, resulting…
Classical molecular dynamics (MD) simulations will be able to reach sampling in the second timescale within five years, producing petabytes of simulation data at current force field accuracy. Notwithstanding this, MD will still be in the…
We consider a strategic M/M/1 queueing model under a first-come-first-served regime, where customers are split into two classes and class $A$ has priority over class $B$. Customers can decide whether to join the queue or balk, and, in case…
Quantum simulations of chemistry in first quantization offer important advantages over approaches in second quantization including faster convergence to the continuum limit and the opportunity for practical simulations outside the…
We consider a system of ordered cars moving in $\R$ from right to left. Each car is represented by a point in $\R$; two or more cars can occupy the same point but cannot overpass. Cars have two possible velocities: either 0 or 1. An…
The objective of this article is to report the parallel implementation of the 3D molecular dynamic simulation code for laser-cluster interactions. The benchmarking of the code has been done by comparing the simulation results with some of…
Molecular dynamics simulations have been performed on pure liquid water, aqueous solutions of sodium chloride, and polymer solutions exposed to a strong external electric field with the goal to gain molecular insight into the structural…
We present predictive tools to calculate the number of ambulances needed according to demand of entrance calls and time of service. Our analysis discriminates between emergency and non-urgent calls. First, we consider the nonstationary…
Dynamic queueing networks (DQN) model queueing systems where demand varies strongly with time, such as airport terminals. With rapidly rising global air passenger traffic placing increasing pressure on airport terminals, efficient…
In the simulation of biological molecules, it is customary to impose constraints on the fastest degrees of freedom to increase the time step. The evaluation of the involved constraint forces must be performed in an efficient manner, for…
Classical molecular dynamics simulations of hydrogen plasmas have been performed with emphasis on the analysis of equilibration process. Theoretical basis of simulation model as well as numerically relevant aspects -- such as the proper…
The simulation of granular media is usually done either with event-driven codes that treat collisions as instantaneous but have difficulty with very dense packings, or with molecular dynamics methods that approximate rigid grains using a…
Linear quantum cellular automata were introduced recently as one of the models of quantum computing. A basic postulate of quantum mechanics imposes a strong constraint on any quantum machine: it has to be unitary, that is its time evolution…
The problem of observing rare events is pervasive among the molecular dynamics community and an array of different types of methods are commonly used to accelerate these long timescale processes. Typically, rare event acceleration methods…
Continuous-time event sequences, i.e., sequences consisting of continuous time stamps and associated event types ("marks"), are an important type of sequential data with many applications, e.g., in clinical medicine or user behavior…
We discuss the viability of ensemble simulations of fluid flows on quantum computers. The basic idea is to formulate a functional Liouville equation for the probability distribution of the flow field configuration and recognize that, due to…
We present a quantum algorithm based on repeated measurement to solve initial-value problems for nonlinear ordinary differential equations (ODEs), which may be generated from partial differential equations in plasma physics. We map a…
This paper considers a multichannel preemptive-resume priority queueing system with a Poisson input and an arbitrary service time distribution depending on the priority of job. Jobs of the same priority are serviced according to the LIFO…