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Computational Approach to the Geometry of Compact Riemann Surfaces

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Safe initialization of objects

The inception of object-oriented programming introduces a category of bugs related to object construction: initialization errors. Every newly created object goes through several initialization states: starting from a state where all fields are uninitialize ...

EPFL2020

Comparison of computational methods for the electrochemical stability window of solid-state electrolyte materials

Aris Marcolongo, Matthieu Gilles Mottet

Superior stability and safety are key promises attributed to all-solid-state batteries (ASSBs) containing solid-state electrolyte (SSE) compared to their conventional counterparts utilizing liquid electrolyte. To unleash the full potential of ASSBs, SSE ma ...

Royal Society of Chemistry2020

JIT works: decide when all data is known (VLDB Women in Database Research Award talk)

Anastasia Ailamaki

When the time comes to make a critical decision, it is of paramount importance to prepare enough so that all the information necessary is available at decision time. Under-preparation leads to uninformed decisions; over-preparation, however, may lead to co ...

ASSOC COMPUTING MACHINERY2020

Unfolding the prospects of computational (bio)materials modeling

Ignacio Pagonabarraga Mora

In this perspective communication, we briefly sketch the current state of computational (bio)material research and discuss possible solutions for the four challenges that have been increasingly identified within this community: (i) the desire to develop a ...

AMER INST PHYSICS2020

Experimental and Computational Study on Motor Control and Recovery After Stroke: Toward a Constructive Loop Between Experimental and Virtual Embodied Neuroscience

Auke Ijspeert, Silvestro Micera, Shravan Tata Ramalingasetty, Marc-Oliver Gewaltig, Emanuele Formento, Maria Pasquini, Egidio Falotico, Lorenzo Vannucci, Axel von Arnim, Emmanouil Angelidis

Being able to replicate real experiments with computational simulations is a unique opportunity to refine and validate models with experimental data and redesign the experiments based on simulations. However, since it is technically demanding to model all ...

FRONTIERS MEDIA SA2020

Atomistic modeling of the solid-liquid interface of metals and alloys

Edoardo Baldi

Solidification is a phase transformation of utmost importance in material science, for it largely controls materials' microstructure on which a wide range of mechanical properties depends. Almost every human artifact undergoes a transformation that leads t ...

EPFL2020

A Computational Method for Identifying the Optimum Buffer Size in the Era of Zero Defect Manufacturing

Dimitrios Kyritsis, Ali Boujemaoui, Foivos Psarommatis Giannakopoulos

Decreasing defects, waste time, meeting customer demand and being adaptable are the goals of a Zero Defect Manufacturing (ZDM) strategy. Scheduling is an important tool to perform that. It should take in account buffer size allocation. In this study, a met ...

SPRINGER INTERNATIONAL PUBLISHING AG2020

Computational characterisation of the selectivity and binding mode of mono- and binuclear transition metal based anticancer compounds

Thibaud Edouard Alistair von Erlach

The rising resistance and the severe side effects associated with classical anticancer drugs such as cisplatin or mercaptopurines has triggered the development of novel antitumourous agents based on transition metal (e.g. ruthenium, osmium, and gold) organ ...

EPFL2020

Modern quantum chemistry with [Open]Molcas

Francesco Aquilante

MOLCAS/OpenMolcas is an ab initio electronic structure program providing a large set of computational methods from Hartree-Fock and density functional theory to various implementations of multiconfigurational theory. This article provides a comprehensive o ...

AMER INST PHYSICS2020

Computational Design of Auxetic Shells

Mina Konakovic Lukovic

Recent advances in material science and digital fabrication provide promising opportunities for product design, mechanical and biomedical engineering, robotics, architecture, art, and science. Engineered materials and personalized fabrication are revolutio ...

EPFL2019

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Safe initialization of objects

Fengyun Liu

EPFL2020

Experimental and Computational Study on Motor Control and Recovery After Stroke: Toward a Constructive Loop Between Experimental and Virtual Embodied Neuroscience

Auke Ijspeert, Silvestro Micera, Shravan Tata Ramalingasetty, Marc-Oliver Gewaltig, Emanuele Formento, Maria Pasquini, Egidio Falotico, Lorenzo Vannucci, Axel von Arnim, Emmanouil Angelidis

FRONTIERS MEDIA SA2020

Atomistic modeling of the solid-liquid interface of metals and alloys

Edoardo Baldi

EPFL2020

A Computational Method for Identifying the Optimum Buffer Size in the Era of Zero Defect Manufacturing

Dimitrios Kyritsis, Ali Boujemaoui, Foivos Psarommatis Giannakopoulos

SPRINGER INTERNATIONAL PUBLISHING AG2020

Computational characterisation of the selectivity and binding mode of mono- and binuclear transition metal based anticancer compounds

Thibaud Edouard Alistair von Erlach

EPFL2020