QM/MM & Monte Carlo Simulation of Single Wall Nano tube Carbon SWNT (15, 15) Binding Withthymine Dimer

15 Auxiliary-Field Quantum Monte Carlo for Correlated Electron Systems

Wigner Ensemble Monte Carlo: Challenges of 2D Nano-Device Simulation

We announce a two dimensional WIgner ENSemble (WIENS) approach for simulation of carrier transport in nanometer semiconductor devices. The approach is based on a stochastic model, where the quantum character of the carrier transport is taken into account by generation and recombination of positive and negative particles. The first applications of the approach are discussed with an emphasis on t...

Monte Carlo simulation of a computed tomography x-ray tube.

The dose delivered to patients during computed tomography (CT) exams has increased in the past decade. With the increasing complexity of CT examinations, measurement of the dose becomes more difficult and more important. In some cases, the standard methods, such as measurement of the computed tomography dose index (CTDI), are currently under question. One approach to determine the dose from CT ...

Computational Investigation on Alcohol Nano Sensors in Combination with Carbon Nanotube; A Monte Carlo and Ab Initio Simulation

Single walled nanotubes (SWNT) are common interested nanovehicle to make biosensors more sensitive.Carbon nanotubes (CNTs) have many distinct properties make them to be exploited to develop the nextgeneration of such nano sensors .The Keto-Enol tautomerization is one of the most common investigatedsubjects of isomerism in this regards, sensors are devices that are able to detect and change the ...

Flue gas adsorption by single-wall carbon nanotubes: A Monte Carlo study.

Adsorption of flue gases by single-wall carbon nanotubes (SWCNT) has been studied by means of Monte Carlo simulations. The flue gas is modeled as a ternary mixture of N2, CO2, and O2, emulating realistic compositions of the emissions from power plants. The adsorbed flue gas is in equilibrium with a bulk gas characterized by temperature T, pressure p, and mixture composition. We have considered ...