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Million-scale data integrated deep neural network for phonon properties of heuslers spanning the periodic table

Related publications (35)

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This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019

Beyond the second row of the periodic table, the nature of the multiple bonds between the elements of the main groups remains yet elusive, and "non-classical" bonding schemes are often invoked for their description. Here, focusing on group 14, we have perf ...

ROYAL SOC CHEMISTRY2019

Predicting the reflectivity and colour of metals from first principles

Gianluca Prandini

Gold and copper are the only two elemental metals that show a characteristic colour, due to the presence of a drop in the reflectivity curve inside the visible range. Reflectivities of all other metals are in general high and flat for all visible frequenci ...

EPFL2019

Crystal field, ligand field, and interorbital effects in two-dimensional transition metal dichalcogenides across the periodic table

Oleg Yazyev, Diego José Pasquier

Two-dimensional (2D) transition metal dichalcogenides (TMDs) exist in two polymorphs, referred to as 1T and 1H, depending on the coordination sphere of the transition metal atom. The broken octahedral and trigonal prismatic symmetries lead to different cry ...

IOP PUBLISHING LTD2019

Electronic Structure and Topology of Novel Materials

Antimo Marrazzo

The ground and excited electronic states are responsible for several materials' properties. The modern capability of rapidly solving on a computer the fundamental equations of relativistic or semi-relativistic quantum mechanics allows to compute the electr ...

EPFL2019

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Machine-learning of atomic-scale properties amounts to extracting correlations between structure, composition and the quantity that one wants to predict. Representing the input structure in a way that best reflects such correlations makes it possible to im ...

2018

Hypervelocity impact testing on stochastic and structured open porosity cast Al-Si cellular structures for space applications

Andreas Mortensen

A hypervelocity (6.7–7.0 km/s) impact testing campaign was conducted using Ø 2 mm, 95% Al projectiles onto A357 aluminium alloy stochastic foams with 4–5 mm typical pore dimensions, or alternatively diamond cubic periodic structures of cast AlSi12 with a 6 ...

2018

Micro-moirés combining metallic patterns and micro-lenses

Jürgen Brugger, Roger Hersch, Thomas Walger

Moiré effects appear when two sets of periodic structures are superimposed. By combining advanced micro-fabrication technologies and the moiré theory, we are able to obtain visually appealing moirés. Specific metallic patterns are created on one side of a ...

2017

Effects of successive floods on bed load transport in a steep flume.

Christophe Ancey, Joris Heyman, Blaise Etienne Marceau Dhont, Pascal Venetz

Rivers in mountainous areas are subject to cyclic perturbations due for instance to summer storms or daily variations in snowmelt. Such phenomena cause successive floods occurring under very similar forcing conditions. However, as shown by several field st ...

2014

The design of a microvascular flow network embedded in an actively-cooled polymeric material is presented. A multi-objective Genetic Algorithm (GA) combined with the finite element method is first used to determine the quasi-optimized network configuration ...

Springer2014

This thesis is dedicated to the study of various aspects of the electronic structure of two-dimensional transition metal dichalcogenides (TMDs) of chemical composition MX

_2

(where M is a transition metal atom and X= S, Se, Te), using a combination of \te ...

EPFL2019