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Journal: Internal identifier : 97777
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Simplification of Reaction Networks, Confluence and Elementary Modes

Guillaume Madelaine , Elisa Tonello , Cédric Lhoussaine , Joachim Niehren
Computation, 2017, Multiscale and Hybrid Modeling of the Living Systems
Journal articles hal-01471074v1
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Regression Machine Learning Models Used to Predict DFT-Computed NMR Parameters of Zeolites

Robin Gaumard , Dominik Dragún , Jesús Pedroza-Montero , Bruno Alonso , Hazar Guesmi et al.
Computation, 2022, 10 (5), pp.74. ⟨10.3390/computation10050074⟩
Journal articles hal-03669040v1
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Color Variability Constrains Detection of Geometrically Perfect Mirror Symmetry

Birgitta Dresp
Computation, 2022, 10 (6), pp.99. ⟨10.3390/computation10060099⟩
Journal articles hal-03702983v1
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Numerical Analysis of a Novel Twin-Impeller Centrifugal Compressor

van Thang Nguyen , Amélie Danlos , Florent Ravelet , Michael Deligant , Moises Solis et al.
Computation, 2021, 9 (12), pp.143. ⟨10.3390/computation9120143⟩
Journal articles hal-03512226v1
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Evaluation of the Leak Detection Performance of Distributed Kalman Filter Algorithms in WSN-Based Water Pipeline Monitoring of Plastic Pipes

Valery Nkemeni , Fabien Mieyeville , Pierre Tsafack
Computation, 2022, 10 (4), pp.55. ⟨10.3390/computation10040055⟩
Journal articles hal-03670831v1

Local Potential Functional Embedding Theory: A Self-Consistent Flavor of Density Functional Theory for Lattices without Density Functionals

Sajanthan Sekaran , Matthieu Saubanère , Emmanuel Fromager
Computation, 2022, 10 (3), pp.45. ⟨10.3390/computation10030045⟩
Journal articles hal-03833005v1
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Correlation between Computed Ion Hydration Properties and Experimental Values of Sugar Transfer through Nanofiltration and Ion Exchange Membranes in Presence of Electrolyte

Alessio Fuoco , Sylvain Galier , Hélène Roux De-Balmann , Giorgio de Luca
Computation, 2018, 6 (3), pp.1-11. ⟨10.3390/computation6030042⟩
Journal articles hal-01959201v1
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Metabolic Pathway Analysis in the Presence of Biological Constraints

Philippe Dague
Computation, 2021, 9 (10), pp.111. ⟨10.3390/computation9100111⟩
Journal articles hal-03467719v1

On Numerical Modeling of Thermal Performance Enhancementof a Heat Thermal Energy Storage System Using a Phase Change Material and a Porous Foam

Riheb Mabrouk , H. Naji , Hacen Dhahri , Zouhir Younsi
Computation, 2022, 10 (1), pp.3. ⟨10.3390/computation10010003⟩
Journal articles hal-03520975v1
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Solid-State Testing of a Van-Der-Waals-Corrected Exchange-Correlation Functional Based on the Semiclassical Atom Theory

Aleksandr V Terentjev , Pietro Cortona , Lucian A Constantin , José M M.Pitarke , Fabio Della Sala et al.
Computation, 2018, 6, ⟨10.3390/computation6010007⟩
Journal articles hal-01769550v1
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Interaction of Hydrogen with Au Modified by Pd and Rh in View of Electrochemical Applications

Fernanda Juarez, , German Soldano, , Elizabeth Santos , Hazar Guesmi , Frederik Tielens et al.
Computation, 2016, 4 (3), pp.26. ⟨10.3390/computation4030026⟩
Journal articles hal-01395929v1
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Periodic DFTB for Supported Clusters: Implementation and Application on Benzene Dimers Deposited on Graphene

Mathias Rapacioli , Nathalie Tarrat
Computation, 2022, 10 (3), pp.39. ⟨10.3390/computation10030039⟩
Journal articles hal-03681079v1

On the Use of Benchmarks for Multiple Properties

Bartolomeo Civalleri , Roberto Dovesi , Pascal Pernot , Davide Presti , Andreas Savin et al.
Computation, 2016, 4 (2), pp.20. ⟨10.3390/computation4020020⟩
Journal articles hal-01415837v1
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Should We Gain Confidence from the Similarity of Results between Methods?

Pascal Pernot , Andreas Savin
Journal articles hal-03566402v1
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A Hybrid Computation Model to Describe the Progression of Multiple Myeloma and Its Intra-Clonal Heterogeneity

Anass Bouchnita , Fatima Ezzahra Belmaati , Rajae Aboulaich , M J K Koury , Vitaly A Volpert et al.
Computation, 2017, 5 (1), pp.16. ⟨10.3390/computation5010016⟩
Journal articles hal-01565940v1
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Influence of the Chemical Pressure on the Magnetic Properties of the Mixed Anion Cuprates Cu2OX2 (X = Cl, Br, I)

W. Lafargue-Dit-Hauret , X. Rocquefelte
Computation, 2022, 10 (5), pp.73. ⟨10.3390/computation10050073⟩
Journal articles hal-03691412v1
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DFT Study of Si/Al Ratio and Confinement Effects on the Energetics and Vibrational Properties of some Aza-Aromatic Molecules Adsorbed on H-ZSM-5 Zeolite

Martine Castellà-Ventura , Alain Moissette , Emile Kassab
Computation, 2020, 8 (3), pp.81. ⟨10.3390/computation8030081⟩
Journal articles hal-03079800v1
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Exact Boolean Abstraction of Linear Equation Systems

Emilie Allart , Joachim Niehren , Cristian Versari
Computation, 2021, 9 (11), pp.32
Journal articles hal-03384058v2
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On the High-Resolution Discretization of the Maxwell Equations in a Composite Tape and the Heating Effects Induced by the Dielectric Losses

Chady Ghnatios , Anaïs Barasinski , Francisco Chinesta
Computation, 2022, 10 (2), pp.24. ⟨10.3390/computation10020024⟩
Journal articles hal-03561110v1

Dynamic Stability Enhancement of a Hybrid Renewable Energy System in Stand-Alone Applications

Ezzeddine Touti , Hossem Zayed , Remus Pusca , Raphael Romary
Computation, 2021, 9 (2), pp.14. ⟨10.3390/computation9020014⟩
Journal articles hal-03673200v1

First Principle Modelling of Materials and Processes in Dye-Sensitized Photoanodes for Solar Energy and Solar Fuels

Mariachiara Pastore
Computation, 2017, 5 (4), pp.5. ⟨10.3390/computation5010005⟩
Journal articles hal-02395166v1
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Towards a Multiscale Model of Acute HIV Infection

Anass Bouchnita , Gennady Bocharov , Andreas Meyerhans , Vitaly Volpert
Computation, 2017, 5 (1), pp.6. ⟨10.3390/computation5010006⟩
Journal articles hal-01570577v1
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New Design and Optimization of a Jet Pump to Boost Heavy Oil Production

Jens Toteff , Miguel Asuaje , Ricardo Noguera
Computation, 2022, 10 (1), pp.11. ⟨10.3390/computation10010011⟩
Journal articles hal-03611931v1

Multiscale Modeling of the Early CD8 T-Cell Immune Response in Lymph Nodes: An Integrative Study

Sotiris Prokopiou , Loic Barbarroux , Samuel Bernard , Julien Mafille , Yann Leverrier et al.
Computation, 2014, 2 (4), pp.159-181. ⟨10.3390/computation2040159⟩
Journal articles hal-01074736v1
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Non-Intrusive In-Plane-Out-of-Plane Separated Representation in 3D Parametric Elastodynamics

Claudia Germoso , Giacomo Quaranta , Jean Louis Duval , Francisco Chinesta
Computation, 2020, 8 (3), pp.1-15. ⟨10.3390/computation8030078⟩
Journal articles hal-02958659v1