Results 81 to 90 of about 584,217 (286)

Update 0.2 to “pysimm: A python package for simulation of molecular systems”

SoftwareX, 2018
An update to the pysimm Python molecular simulation API is presented. A major part of the update is the implementation of a new interface with CASSANDRA — a modern, versatile Monte Carlo molecular simulation program.
Alexander G. Demidov, Michael E. Fortunato, Coray M. Colina   +2 more
doaj   +1 more source

Polaron effective mass from Monte Carlo simulations

, 1997
A new Monte Carlo algorithm for calculating polaron effective mass is proposed. It is based on the path-integral representation of a partial partition function with fixed total quasi-momentum.
A. S. Alexandrov, E. R. Pike, P. E. Kornilovitch   +2 more
core   +1 more source

Correlated Charge Transport in an Organic Coulomb Glass

Advanced Materials, EarlyView.
ABSTRACT Advances in the development of organic field‐effect transistors (OFETs), electrically gated organic semiconductors (EGOFETs), and organic electrochemical transistors (OECTs) allow for the operation of these devices at very high charge‐carrier densities, where Coulomb interactions between carriers can be expected to become significant.
Magdalena Sophie Dörfler, Heinz Bässler, Harald Oberhofer, Anna Köhler   +3 more
wiley   +1 more source

Decision Assistance in Risk Assessment – Monte Carlo Simulations [PDF]

Informatică economică, 2012
High security must be a primary and permanent concern of the leadership of an organization and it must be ensured at any time. For this, a risk analysis is compulsory and imperative to be done during the risk management cycle.
Emil BURTESCU
doaj  

Neuromorphic Electronics for Intelligence Everywhere: Emerging Devices, Flexible Platforms, and Scalable System Architectures

Advanced Materials, EarlyView.
The perspective presents an integrated view of neuromorphic technologies, from device physics to real‐time applicability, while highlighting the necessity of full‐stack co‐optimization. By outlining practical hardware‐level strategies to exploit device behavior and mitigate non‐idealities, it shows pathways for building efficient, scalable, and ...
Kapil Bhardwaj, Roshni Satheesh Babu, Yuxin Xia, Eva Bestelink, Radu Sporea, Nikos Hastas, Ioannis Zeimpekis, Dimitra G. Georgiadou, Sayani Majumdar   +8 more
wiley   +1 more source

High Ener High Energy Appr gy Approximation for Monte Carlo E ximation for Monte Carlo Event gener ent generator

Eurasian Journal of Physics and Functional Materials
Analysis of the nuclear physics experiment often requires Monte Carlo simulation of the detector setup. Such kind of simulations often requires a quite advanced model of nuclear interaction.
A. N. Ismailova , Yu. L. Parfenova , P. G. Sharov, D. M. Janseitov   +3 more
doaj   +1 more source

Monte Carlo Simulations of Ultrathin Magnetic Dots

, 2006
In this work we study the thermodynamic properties of ultrathin ferromagnetic dots using Monte Carlo simulations. We investigate the vortex density as a function of the temperature and the vortex structure in monolayer dots with perpendicular anisotropy ...
Costa, B. V., Dias, R. A., Landau, D. P., Rapini, M.   +3 more
core   +2 more sources

When Poor Exciton Dissociation Limits Photocurrents in Organic Solar Cells: Why Low Offset Non‐Fullerene Acceptor Blends Can't Be Efficient

Advanced Materials, EarlyView.
The energetic offset between the donor and the acceptor components in organic photoactive layers is central to the tradeoff between photovoltage and photocurrent losses. This Perspective covers the most important issues surrounding this topic in non‐fullerene acceptor blends, from the difficulty of accurately determining state energies and driving ...
Dieter Neher, Manasi Pranav
wiley   +1 more source

Non-Markovian spin relaxation in two-dimensional electron gas

, 2006
We analyze by Monte-Carlo simulations and analytically spin dynamics of two-dimensional electron gas (2DEG) interacting with short-range scatterers in nonquantizing magnetic fields. It is shown that the spin dynamics is non-Markovian with the exponential
Averkiev N., Baskin E. M., D'yakonov M. I., D'yakonov M. I., E. Ya Sherman, Gantmakher V., Ivchenko E. L., Ivchenko E. L., Ivchenko E. L., M. M Glazov, Malinowski A., Rashba E. I.   +11 more
core   +1 more source

Resistance to Overdoping Allows Over 2000 S cm−1 Conductivity in P(g3BTTT) With Anion‐Exchange Doping

Advanced Materials, EarlyView.
Anion‐exchange doping of conjugated polymers is an effective way to achieve high conductivities. Here, we report over 2000 S cm−1 electrical conductivity for doped P(g3BTTT). In addition, we show that P(g3BTTT) sustains exceptionally high doping levels without any drop in the charge mobility.
Basil Hunger, Maximilian M. Horn, Eva Röck, Diego Rosas Villalva, Lize Bynens, Jochen Vanderspikken, Christina Kousseff, Silène Gobeil, Olivier Bardagot, Nesibe Akmanşen‐Kalayci, Sarah H. Tolbert, Iain McCulloch, Wouter Maes, Demetra Tsokkou, Natalie Banerji   +14 more
wiley   +1 more source