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Continuum Monte-Carlo simulations at constant pressure are performed on short chain molecules at surfaces. The rodlike chains, consisting of seven effective monomers, are attached at one end to a flat twodimensional substrate. It is found…

Condensed Matter · Physics 2007-05-23 R. Hilfer , F. M. Haas

In this work, we introduce a simple modification of the Monte Carlo algorithm, which we call step Monte Carlo (sMC). The sMC approach allows to simulate processes far from equilibrium and obtain information about the dynamic properties of…

Other Condensed Matter · Physics 2023-12-15 Dariusz Sztenkiel

Artifacts arise in the simulations of electrolytes using periodic boundary conditions (PBC). We show the origin of these artifacts are the periodic image charges and the constraint of charge neutrality inside the simulation box, both of…

Soft Condensed Matter · Physics 2015-09-30 Yihao Liang , Zhenli Xu , Xiangjun Xing

Monte Carlo simulation provides a powerful tool for understanding and exploring thermodynamic phase equilibria in many-particle interacting systems. Among the most physically intuitive simulation methods is Gibbs ensemble Monte Carlo…

Statistical Mechanics · Physics 2015-06-12 Alan R. Denton , Michael P. Schmidt

The standard technique to electrically isolate the $n^+$ implants of segmented silicon sensors fabricated on high-ohmic $p$-type silicon are $p^+$-implants. Although the knowledge of the $p^+$-implant dose and of the doping profile is…

Instrumentation and Detectors · Physics 2017-08-23 E. Fretwurst , E. Garutti , R. Klanner , I. Kopsalis , J. Schwandt , M. Weberpals

We introduce a Monte-Carlo algorithm for the simulation of charged particles moving in the continuum. Electrostatic interactions are not instantaneous as in conventional approaches, but are mediated by a constrained, diffusing electric…

Soft Condensed Matter · Physics 2009-11-10 Joerg Rottler , A. C. Maggs

When solving stochastic partial differential equations (SPDEs) driven by additive spatial white noise, the efficient sampling of white noise realizations can be challenging. Here, we present a new sampling technique that can be used to…

Numerical Analysis · Mathematics 2023-01-10 Matteo Croci , Michael B. Giles , Marie E. Rognes , Patrick E. Farrell

Classical molecular dynamics simulations have recently become a standard tool for the study of electrochemical systems. State-of-the-art approaches represent the electrodes as perfect conductors, modelling their responses to the charge…

Quantum Monte Carlo (QMC) methods are some of the most accurate methods for simulating correlated electronic systems. We investigate the compatibility, strengths and weaknesses of two such methods, namely, diffusion Monte Carlo (DMC) and…

Computational Physics · Physics 2020-10-14 Fionn D. Malone , Anouar Benali , Miguel A. Morales , Michel Caffarel , P. R. C. Kent , Luke Shulenburger

Depleted Monolithic Active Pixel Sensor (DMAPS) sensors developed in the Tower Semiconductor 180 nm CMOS imaging process have been designed in the context of the ATLAS ITk upgrade Phase-II at the HL-LHC and for future collider experiments.…

A method is proposed to handle the sign problem in the simulation of systems having indefinite or complex-valued measures. In general, this new approach, which is based on renormalisation blocking, is shown to yield statistical errors…

High Energy Physics - Lattice · Physics 2009-10-28 J. F. Markham , T. D. Kieu

Monte Carlo (MC) simulations are extensively used for various purposes in modern high-energy physics (HEP) experiments. Precision measurements of established Standard Model processes or searches for new physics often require the collection…

Data Analysis, Statistics and Probability · Physics 2022-06-15 Karl Ehataht , Christian Veelken

Purpose: Current photon-counting computed tomography detectors are limited to a pixel size of around 0.3 mm-0.5 mm due to excessive charge sharing degrading the dose efficiency and energy resolution as the pixels become smaller. In this…

Medical Physics · Physics 2024-01-18 Rickard Brunskog , Mats Persson , Zihui Jin , Mats Danielsson

Biological tissues are complex structures composed of many elements which make light-based tissue diagnostics challenging. Over the past decades, Monte Carlo technique has been used as a fundamental and versatile approach toward modeling…

Optics · Physics 2024-05-17 Maryam Ghahremani

Monolithic Active Pixel Sensors (MAPS) are a promising detector candidate for the inner tracker of the Super Tau-Charm Facility (STCF). To evaluate the performance of MAPS and the MAPS-based inner tracker, a dedicated simulation workflow…

Instrumentation and Detectors · Physics 2025-12-12 Ruiyang Zhang , Dongwei Xuan , Jiajun Qin , Lei Zhao , Le Xiao , Xiangming Sun , Lailin Xu , Jianbei Liu

The task of accurately locating fluid phase boundaries by means of computer simulation is hampered by problems associated with sampling both coexisting phases in a single simulation run. We explain the physical background to these problems…

Statistical Mechanics · Physics 2009-11-07 N. B. Wilding

Extracting colorimetric image information from the spectral characteristics of image sensors is a key issue in accurate image acquisition. Technically feasible filter/sensor combinations usually do not replicate colorimetric responses with…

Instrumentation and Detectors · Physics 2014-08-11 C. Mayr , S. Henker , A. Krause , J. -U. Schlüßler , R. Schüffny

We propose a hybrid Molecular Dynamics/Multi-particle Collision Dynamics model to simulate a set of self-assembled semiflexible filaments and free monomers. Further, we introduce a Monte-Carlo scheme to deal with single monomer addition…

Soft Condensed Matter · Physics 2012-02-29 Mathieu Caby , Priscilla Hardas , Sanoop Ramachandran , Jean-Paul Ryckaert

Molecular simulations of the forced unfolding and refolding of biomolecules or molecular complexes allow to gain important kinetic, structural and thermodynamic information about the folding process and the underlying energy landscape. In…

Soft Condensed Matter · Physics 2021-05-26 Marco Oestereich , Jürgen Gauss , Gregor Diezemann