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Ministry points: Help
| Year | Points | List |
|---|---|---|
| Year 2024 | 140 | Ministry scored journals list 2024 |
| Year | Points | List |
|---|---|---|
| 2024 | 140 | Ministry scored journals list 2024 |
| 2023 | 140 | Ministry Scored Journals List |
| 2022 | 140 | Ministry Scored Journals List 2019-2022 |
| 2021 | 140 | Ministry Scored Journals List 2019-2022 |
| 2020 | 140 | Ministry Scored Journals List 2019-2022 |
| 2019 | 140 | Ministry Scored Journals List 2019-2022 |
| 2018 | 45 | A |
| 2017 | 45 | A |
| 2016 | 45 | A |
| 2015 | 45 | A |
| 2014 | 45 | A |
| 2013 | 45 | A |
| 2012 | 35 | A |
| 2011 | 35 | A |
| 2010 | 32 | A |
Model:
Points CiteScore:
| Year | Points |
|---|---|
| Year 2023 | 12.1 |
| Year | Points |
|---|---|
| 2023 | 12.1 |
| 2022 | 9.4 |
| 2021 | 8.8 |
| 2020 | 7.3 |
| 2019 | 7.2 |
| 2018 | 7.7 |
| 2017 | 7.9 |
| 2016 | 7.3 |
| 2015 | 6.4 |
| 2014 | 5.3 |
| 2013 | 5.9 |
| 2012 | 5.9 |
| 2011 | 4.5 |
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Papers published in journal
Filters
total: 9
Catalog Journals
Year 2024
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Multi-GPU UNRES for scalable coarse-grained simulations of very large protein systems
PublicationGraphical Processor Units (GPUs) are nowadays widely used in all-atom molecular simulations because of the advantage of efficient partitioning of atom pairs between the kernels to compute the contributions to energy and forces, thus enabling the treatment of very large systems. Extension of time- and size-scale of computations is also sought through the development of coarse-grained (CG) models, in which atoms are merged into extended...
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Path integrals formulations leading to propagator evaluation for coupled linear physics in large geometric models
PublicationReformulating linear physics using second kind Fredholm equations is very standard practice. One of the straightforward consequences is that the resulting integrals can be expanded (when the Neumann expansion converges) and probabilized, leading to path statistics and Monte Carlo estimations. An essential feature of these algorithms is that they also allow to estimate propagators for all types of sources, including initial conditions....
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YADE - An extensible framework for the interactive simulation of multiscale, multiphase, and multiphysics particulate systems
PublicationThis contribution presents the key elements of YADE, an extensible open-source framework for dynamic simulations. During the past 19 years, YADE has evolved from "Yet Another Dynamic Engine"' to a versatile multiscale and multiphysics solver, counting a large, active, and growing community of users and developers. The computationally intense parts of the source code are written in C++, using flexible object models that allow for...
Year 2023
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Very accurate time propagation of coupled Schrödinger equations for femto- and attosecond physics and chemistry, with C++ source code
PublicationIn this article, I present a very fast and high-precision (up to 33 decimal places) C++ implementation of the semi-global time propagation algorithm for a system of coupled Schrödinger equations with a time-dependent Hamiltonian. It can be used to describe time-dependent processes in molecular systems after excitation by femto- and attosecond laser pulses. It also works with an arbitrary user supplied Hamiltonian and can be used...
Year 2022
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Implementation of high-precision computation capabilities into the open-source dynamic simulation framework YADE
PublicationThis paper deals with the implementation of arbitrary precision calculations into the open-source discrete element framework YADE published under the GPL-2+ free software license. This new capability paves the way for the simulation framework to be used in many new fields such as quantum mechanics. The implementation details and associated gains in the accuracy of the results are discussed. Besides the "standard" double (64 bits)...
Year 2018
Year 2016
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A highly-efficient technique for evaluating bond-orientational order parameters
PublicationWe propose a novel, highly-efficient approach for the evaluation of bond-orientational order parameters (BOPs). Our approach exploits the properties of spherical harmonics and Wigner 3jj-symbols to reduce the number of terms in the expressions for BOPs, and employs simultaneous interpolation of normalised associated Legendre polynomials and trigonometric functions to dramatically reduce the total number of arithmetic operations....
Year 2013
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An extended basis inexact shift–invert Lanczos for the efficient solution of large-scale generalized eigenproblems
PublicationThis paper proposes a technique, based on the Inexact Shift–Invert Lanczos (ISIL) method with Inexact Jacobi Orthogonal Component Correction (IJOCC) refinement, and a preconditioned conjugate-gradient (PCG) linear solver with multilevel preconditioner, for finding several eigenvalues for generalized symmetric eigenproblems. Several eigenvalues are found by constructing (with the ISIL process) an extended projection basis. Presented...
Year 2000
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