simulation

Modelling and simulation for autonomous systems: 6th International Conference, MESAS 2019, Palermo, Italy, October 29-31, 2019, revised selected papers / Jan Mazal, Adriano Fagiolini, Petr Vasik (eds.)

Online Resource




simulation

Molecular dynamics simulations in statistical physics: theory and applications / Hiqmet Kamberaj

Online Resource




simulation

Computer modeling and simulation of dynamic systems using Wolfram SystemModeler / Kirill Rozhdestvensky [and more]

Online Resource




simulation

Modeling, simulation and control of electrical drives / edited by Muhammed Fazlur Rahman and Sanjeet K. Dwivedi

Online Resource




simulation

Numerical simulation of water waves Jianhua Tao ; translated by Haiwen Zhang ; co-translator, Jianhua Tao

Online Resource




simulation

Continuous system simulation [electronic resource] / François E. Cellier, Ernesto Kofman

New York : Springer Science+Business Media, [2006]




simulation

[ASAP] Flexible Fitting of Small Molecules into Electron Microscopy Maps Using Molecular Dynamics Simulations with Neural Network Potentials

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01167




simulation

[ASAP] Simulation-Based Methods for Model Building and Refinement in Cryoelectron Microscopy

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00087




simulation

[ASAP] Brick-CFCMC: Open Source Software for Monte Carlo Simulations of Phase and Reaction Equilibria Using the Continuous Fractional Component Method

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00334




simulation

[ASAP] Discovery of Ubiquitin-Specific Protease 7 (USP7) Inhibitors with Novel Scaffold Structures by Virtual Screening, Molecular Dynamics Simulation, and Biological Evaluation

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00154




simulation

[ASAP] A Community Letter Regarding Sharing Biomolecular Simulation Data for COVID-19

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00319




simulation

[ASAP] Understanding the Contributions of Microscopic Heat Transfer to Thermal Conductivities of Liquid Aldehydes and Ketones by Molecular Dynamics Simulation

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.0c00184




simulation

[ASAP] Unraveling the Electric Field-Induced Second Harmonic Generation Responses of Stilbazolium Ion Pairs Complexes in Solution Using a Multiscale Simulation Method

Journal of Chemical Information and Modeling
DOI: 10.1021/acs.jcim.9b01161




simulation

[ASAP] Toward the Atomic Scale Simulation of Intricate Acidic Aluminosilicate Catalysts

ACS Catalysis
DOI: 10.1021/acscatal.0c01136




simulation

Topics in Statistical Simulation [electronic resource] : Research Papers from the 7th International Workshop on Statistical Simulation / edited by V.B. Melas, Stefania Mignani, Paola Monari, Luigi Salmaso

New York, NY : Springer New York : Imprint: Springer, 2014




simulation

Learning Regression Analysis by Simulation [electronic resource] / by Kunio Takezawa

Tokyo : Springer Japan : Imprint: Springer, 2014




simulation

GIS-based simulation and analysis of intra-urban commuting / Yujie Hu, Fahui Wang

Rotch Library - HE305.H8 2019




simulation

The Manchester benchmarks for rail vehicle simulation / edited by S. Iwnicki

Online Resource




simulation

Continuum thermomechanics [electronic resource]: : with numerical simulation in view / Alfredo Bermúdez de Castro




simulation

[ASAP] Finite Systems under Pressure: Assessing Volume Definition Models from Parallel-Tempering Monte Carlo Simulations

The Journal of Physical Chemistry A
DOI: 10.1021/acs.jpca.0c00881




simulation

Assessing the Extent of Structural and Dynamic Modulation of Membrane Lipids due to Pore Forming Toxins: Insights from Molecular Dynamics Simulations

Soft Matter, 2020, Accepted Manuscript
DOI: 10.1039/D0SM00086H, Paper
Vadhana Varadarajan, Rajat Desikan, Ganapathy Ayappa
Infections in many virulent bacterial strains are triggered by the release of pore forming toxins (PFTs), which form oligomeric transmembrane pore complexes on the target plasma membrane. The spatial extent...
The content of this RSS Feed (c) The Royal Society of Chemistry




simulation

Systematic approach for wettability prediction using molecular dynamics simulations

Soft Matter, 2020, 16,4299-4310
DOI: 10.1039/D0SM00197J, Paper
Open Access
  This article is licensed under a Creative Commons Attribution 3.0 Unported Licence.
Ahmed Jarray, Herman Wijshoff, Jurriaan A. Luiken, Wouter K. den Otter
An efficient approach for fast screening of liquids in terms of their wetting properties.
The content of this RSS Feed (c) The Royal Society of Chemistry




simulation

Simulations of Interpenetrating Networks Microgel Synthesis

Soft Matter, 2020, Accepted Manuscript
DOI: 10.1039/D0SM00287A, Paper
Vladimir Yurievich Rudyak, Elena Kozhunova, Alexander V. Chertovich
In this paper we implement the sequential template synthesis of the interpenetrating network (IPN) microgels in computer simulations and study the behavior of such particles. We explore the influence of...
The content of this RSS Feed (c) The Royal Society of Chemistry




simulation

Wall entrapment of peritrichous bacteria: A mesoscale hydrodynamics simulation study

Soft Matter, 2020, Accepted Manuscript
DOI: 10.1039/D0SM00571A, Paper
S. Mahdiyeh Mousavi, Gerhard Gompper, Roland G. Winkler
Microswimmers such as E. Coli bacteria accumulate and exhibit an intriguing dynamics near walls, governed by hydrodynamic and steric interactions. Insight into the underlying mechanisms and predominant interactions demand a...
The content of this RSS Feed (c) The Royal Society of Chemistry




simulation

Single chain in mean field simulation of flexible and semiflexible polymers: Comparison with discrete chain self-consistent field theory

Soft Matter, 2020, Accepted Manuscript
DOI: 10.1039/D0SM00620C, Paper
So Jung Park, Jaeup Kim
Single chain in mean field (SCMF) simulation is a theoretical framework performing Monte Carlo moves of explicit polymer chains under quasi-instantaneously updated external fields which were originally imported from the...
The content of this RSS Feed (c) The Royal Society of Chemistry




simulation

[ASAP] Induced Polarization in Molecular Dynamics Simulations of the 5-HT<sub>3</sub> Receptor Channel

Journal of the American Chemical Society
DOI: 10.1021/jacs.0c02394




simulation

Molding simulation: theory and practice / Maw-Ling Wang, Rong-Yeu Chang, Chia-Hsiang (David) Hsu

Hayden Library - TP1150.W36 2018




simulation

Applications in Design and Simulation of Sustainable Chemical Processes / Alexandre C. Dimian, Costin Sorin Bildea and Anton A. Kiss

Online Resource




simulation

Postdoctoral Researcher in Theory of Superconducting Quantum Simulations: University of Oulu

£Attractive: University of Oulu
For more latest jobs and jobs in Finland visit brightrecruits.com




simulation

PhD position in plasma+nuclear physics/numerical simulations at CNRS (France): CNRS

€Attractive: CNRS
For more latest jobs and jobs in France visit brightrecruits.com




simulation

Simulations unveil Grignard reactions' complex mechanism

Detailed models highlight a key role for solvents




simulation

A full simulation of H1N1 flu virus

160-million-atom simulation reveals potential drug targets




simulation

Si detectors and characterization for HEP and photon science experiment: how to design detectors by TCAD simulation / Ajay Kumar Srivastava

Online Resource




simulation

Theory and simulation methods for electronic and phononic transport in thermoelectric materials

Online Resource




simulation

Urban composite development index for 17 Shandong cities: ranking and simulation analysis based on China's five development concepts / Tan Khee Giap [and four others]

Rotch Library - HT384.C62 S428 2018




simulation

Plasma-enhanced catalysis for the upgrading of methane: a review of modelling and simulation methods

React. Chem. Eng., 2020, 5,814-837
DOI: 10.1039/D0RE00024H, Review Article
Pierre-André Maitre, Matthew S. Bieniek, Panagiotis N. Kechagiopoulos
Modelling methods and simulation works on the upgrading of methane via plasma and plasma-enhanced catalysis reviewed.
The content of this RSS Feed (c) The Royal Society of Chemistry




simulation

[ASAP] Discovery of Self-Assembling p-Conjugated Peptides by Active Learning-Directed Coarse-Grained Molecular Simulation

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c00708




simulation

[ASAP] Variance of Atomic Coordinates as a Dynamical Metric to Distinguish Proteins and Protein–Protein Interactions in Molecular Dynamics Simulations

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01191




simulation

[ASAP] Proton Propensity and Orientation of Imidazolium Cation at Liquid Imidazole–Vacuum Interface: A Molecular Dynamics Simulation

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.9b11918




simulation

[ASAP] Microscopic Understanding of the Effect of Ionic Liquid on Protein from Molecular Simulation Studies

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c02001




simulation

[ASAP] Dual Resolution Membrane Simulations Using Virtual Sites

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01842




simulation

[ASAP] Electron Paramagnetic Resonance Measurements of Four Nitroxide Probes in Supercooled Water Explained by Molecular Dynamics Simulations

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c00684




simulation

[ASAP] Quantitative Investigation of Ion Clusters in a Double Salt Ionic Liquid by Both Vibrational Spectroscopy and Molecular Dynamics Simulation

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01457




simulation

[ASAP] Liquid/Vapor Interface of Dimethyl Carbonate–Methanol Binary Mixtures Investigated by Sum Frequency Generation Vibrational Spectroscopy and Molecular Dynamics Simulation

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01566




simulation

[ASAP] Characterization of Long Linear and Branched Alkanes and Alcohols for Temperatures up to 573.15 K by Surface Light Scattering and Molecular Dynamics Simulations

The Journal of Physical Chemistry B
DOI: 10.1021/acs.jpcb.0c01740




simulation

Deciphering calcium-binding behaviors of casein phosphopeptides by experimental approaches and molecular simulation

Food Funct., 2020, Accepted Manuscript
DOI: 10.1039/D0FO00844C, Paper
Minna Luo, Jie Xiao, Shengwei Sun, Fengchao Cui, Wei Li, Guo Liu, Yunqi Li, Yong Cao
Although specific groups in casein phosphopeptides (CPPs) have been identified to be essential for the calcium-binding capacity, how calcium binds with CPPs remains unclear. In the present study, experimental methods...
The content of this RSS Feed (c) The Royal Society of Chemistry




simulation

Management science in fisheries : an introduction to simulation-based methods / edited by Charles T.T. Edwards and Dorothy J. Dankel




simulation

Simulation options for airport planning / Florian B. Hafner

Barker Library - TL725.3.P5 H34 2019




simulation

A comparative simulation of Type I error and Power of Four tests of homogeneity of effects for random- and fixed-effects models of meta-analysis




simulation

The effects of computer simulation and learning styles on emergency vehicle drivers' competency in training course