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1,043 Newest Publications about the topic computer simulations

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Solvation dynamics in polar solvents and imidazolium ionic liquids: failure of linear response approximations

26-May-2018 | Esther Heid; Christian Schröder, Physical Chemistry Chemical Physics, 2018

This study presents the large scale computer simulations of two common fluorophores, N-methyl-6-oxyquinolinium betaine and coumarin 153, in five polar or ionic solvents. The validity of linear response approximations to calculate the time-dependent Stokes shift is evaluated in each system. In ...

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Adsorption of amphiphilic graft copolymers in solvents selective for the grafts on a lyophobic surface: a coarse-grained simulation study

26-May-2018 | Zbyšek Posel; Martin Svoboda; Zuzana Limpouchová; Martin Lísal; Karel Procházka, Physical Chemistry Chemical Physics, 2018

The sorption of graft copolymers on surfaces attractive only for the backbone and its effect on the conformational behavior of adsorbed/desorbed chains in solvents good for the grafts and poor for the backbone was studied by coarse-grained computer simulations. It was found that the sorption and ...

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Growth of Wormlike Surfactant Micelles Induced by Embedded Polymer: Role of Polymer Chain Length

25-May-2018 | Alexander Lvovich Kvyatkovsky; Vyacheslav S. Molchanov; Hari Sharma; Aleksandr Ivanovich Kuklin; Elena Dormidontova; ..., Soft Matter, 2018

Incorporation of polymer chains into wormlike surfactant micelles, which find a large range of applications, offers the opportunity to modify their structure and properties. In this paper using spectroscopic, scattering, rheological techniques and computer simulations, we study the incorporation ...

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Formation of Laves Phases in Buoyancy Matched Hard Sphere Suspensions

24-May-2018 | Nicole Schärtl; Denis Botin; Thomas Palberg; Eckhard Bartsch, Soft Matter, 2018

Colloidal Laves phases (LPs) are promising precursors for photonic materials. Laves phases have not yet been observed to form in experiments on colloidal suspensions of hard spheres (HS), even though they have been reported in computer simulations. LP formation so far has been achieved only for ...

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Local initiation conditions for water autoionization [Chemistry]

15-May-2018 | Mahmoud Moqadam; Anders Lervik; Enrico Riccardi; Vishwesh Venkatraman; Bjørn Kåre Alsberg; Titus S. van Erp, Proceedings of the National Academy of Sciences current issue, 2018

The dissociation of water is arguably the most fundamental chemical reaction occurring in the aqueous phase. Despite that the splitting of a water molecule very seldom occurs, the reaction is of major importance in many areas of chemistry and biology. Direct experimental probing of the event is ...

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Sensors, Vol. 18, Pages 1351: Cooperative Monocular-Based SLAM for Multi-UAV Systems in GPS-Denied Environments

26-Apr-2018 | Trujillo, Juan-Carlos ; Munguia, Rodrigo ; Guerra, Edmundo ; Grau, Antoni, Sensors, 2018

Sensors, Vol. 18, Pages 1351: Cooperative Monocular-Based SLAM for Multi-UAV Systems in GPS-Denied Environments Sensors doi: 10.3390/s18051351 Authors: Juan-Carlos Trujillo Rodrigo Munguia Edmundo Guerra Antoni Grau This work presents a cooperative monocular-based SLAM ...

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Sensors, Vol. 18, Pages 1351: Cooperative Monocular-Based SLAM for Multi-UAV Systems in GPS-Denied Environments

26-Apr-2018 | Trujillo, Juan-Carlos ; Munguia, Rodrigo ; Guerra, Edmundo ; Grau, Antoni, Sensors, 2018

Sensors, Vol. 18, Pages 1351: Cooperative Monocular-Based SLAM for Multi-UAV Systems in GPS-Denied Environments Sensors doi: 10.3390/s18051351 Authors: Juan-Carlos Trujillo Rodrigo Munguia Edmundo Guerra Antoni Grau This work presents a cooperative monocular-based SLAM ...

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Sensors, Vol. 18, Pages 1237: Power-Efficient Beacon Recognition Method Based on Periodic Wake-Up for Industrial Wireless Devices

17-Apr-2018 | Song, Soonyong ; Lee, Donghun ; Jang, Ingook ; Choi, Jinchul ; Son, Youngsung, Sensors, 2018

Sensors, Vol. 18, Pages 1237: Power-Efficient Beacon Recognition Method Based on Periodic Wake-Up for Industrial Wireless Devices Sensors doi: 10.3390/s18041237 Authors: Soonyong Song Donghun Lee Ingook Jang Jinchul Choi Youngsung Son Energy harvester-integrated wireless ...

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Entropy, Vol. 20, Pages 222: Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method

24-Mar-2018 | Heidari, Maziar ; Kremer, Kurt ; Potestio, Raffaello ; Cortes-Huerto, Robinson, Entropy, 2018

Entropy, Vol. 20, Pages 222: Fluctuations, Finite-Size Effects and the Thermodynamic Limit in Computer Simulations: Revisiting the Spatial Block Analysis Method Entropy doi: 10.3390/e20040222 Authors: Maziar Heidari Kurt Kremer Raffaello Potestio Robinson Cortes-Huerto The ...

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Entropy, Vol. 20, Pages 201: Global Optimization Employing Gaussian Process-Based Bayesian Surrogates

16-Mar-2018 | Preuss, Roland ; von Toussaint, Udo, Entropy, 2018

Entropy, Vol. 20, Pages 201: Global Optimization Employing Gaussian Process-Based Bayesian Surrogates Entropy doi: 10.3390/e20030201 Authors: Roland Preuss Udo von Toussaint The simulation of complex physics models may lead to enormous computer running times. Since the simulations ...

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