Publications related to Automated high-throughput Wannierisation

Related publications (27)

Computational Homogenization for Inverse Design of Surface-based Inflatables

Mark Pauly, Florin Isvoranu, Francis Julian Panetta, Yingying Ren, Seiichi Eduardo Suzuki Erazo, Uday Kusupati

Surface-based inflatables are composed of two thin layers of nearly inextensible sheet material joined together along carefully selected fusing curves. During inflation, pressure forces separate the two sheets to maximize the enclosed volume. The fusing c ...

Association for Computing Machinery (ACM)2024

Customized modular multi-material mouthguard and method of making the same

Dominique Pioletti, Naser Nasrollahzadeh Mamaghani, Martin Broome

There is described a mouthguard comprising an externally exposed impact protective region defined by a first material property and configured to cover a front tooth, an internally exposed occlusional cushioning region defined by a second material property ...

2024

Influence of model uncertainty and long term deformations in action effects calculation in reinforced concrete structures

Xhemsi Malja

Most codes of practice adopt a semi probabilistic design approach for the dimensioning and assessment of structures. Accordingly, structural safety is ensured by performing limit state verifications using design values determined with adequately calibrated ...

EPFL2024

A diversity-driven discovery of potential nanoporous materials for energy-related applications

Sauradeep Majumdar

The design and discovery of potential novel materials is critical for the advancement of climate change mitigation technologies. In this respect, metal-organic frameworks (MOFs) have received considerable attention over the last two decades. The combinatio ...

EPFL2024

Insights from an extensive triaxial testing campaign on a shale for comparative site characterization of a deep geological repository

Lyesse Laloui, Alessio Ferrari, Eleonora Crisci

Several boreholes were drilled for site comparison of a deep geological repository (DGR) in Northern Switzerland. The main target of the exploration program was the >100m thick Opalinus Clay, the designated host rock encountered at approximately 450 to 100 ...

Elsevier2024

Modeling friction and wear using an adaptive discrete-continuum coupling

Manon Eugénie Voisin--Leprince

When two objects slide against each other, wear and friction occur at their interface. The accumulation of wear forms what is commonly referred to as a ``third-body''. Understanding third-body evolution has significant applications in industry, where contr ...

EPFL2024

Morphological and Material Programability of a Hall-Effect Based Soft Tactile Sensors

Josephine Anna Eleanor Hughes, Sudong Lee

The different receptors in human skin show not only diversity in the stimuli to which they respond, but also variable sensitivity and directionality. This is often determined by their location or morphology, and can play an important role in filtering or a ...

IEEE2024

A global framework for data-informed bridge examination

Eugen Brühwiler, Numa Joy Bertola, Philippe Schiltz

Examining the performance of an existing bridge requires information on several aspects, such as design choices, material properties, and ongoing degradation processes. It often happens that some critical information is not available. The traditional appro ...

2024

Design of Customized Mouthguards with Superior Protection Using Digital-Based Technologies and Impact Tests

Dominique Pioletti, Naser Nasrollahzadeh Mamaghani, Martin Broome

Background In contact sports, an impact on the jaw can generate destructive stress on the tooth-bone system. Mouthguards can be beneficial in reducing the injury risk by changing the dynamics of the trauma. The material properties of mouthguards and their ...

Springer2024

Towards Scalable Electronics: Synthetic 2D Materials for Large-Area 2D Circuit Integration

Zhenyu Wang

In the past decades, a significant increase of the transistor density on a chip has led to exponential growth in computational power driven by Moore's law. To overcome the bottleneck of traditional von-Neumann architecture in computational efficiency, effo ...

EPFL2024

Instabilities in Elastic and Magneto-Elastic Beams and Shells: from Shell Buckling to the Design of a Programmable Braille Reader

Arefeh Abbasi

In this thesis, we conduct a comprehensive investigation into structural instabilities of both elastic and magneto-elastic beams and shells, resulting in a creative proposal to design a programmable braille reader. Methodologically, we combine numerical si ...

EPFL2024

Searching for the Thinnest Metallic Wire

Nicola Marzari, Davide Campi, Chiara Cignarella

One-dimensional materials have gained much attention in the last decades: from carbon nanotubes to ultrathin nanowires to few-atom atomic chains, these can all display unique electronic properties and great potential for next-generation applications. Exfol ...

Amer Chemical Soc2024

Reusability assessment of reinforced concrete components prior to deconstruction from obsolete buildings

Corentin Jean Dominique Fivet, Maléna Bastien Masse, Julie Rachel Devènes

A large part of building demolitions is motivated by purely socio-economic reasons. Hence, about-to-be-demolished structures, commonly made of reinforced concrete, very often present no or little degradation. When adaptive reuse of the entire building is n ...

2024

Data-Intensive Exploration of the Photoelectrochemical Responses of Main-Group Metal Sulfides

Nicola Colonna

Materials that efficiently promote the thermodynamically uphill water-splitting reaction under solar illumination are essential for generating carbon-free ("green") hydrogen. Mapping out the combinatorial space of potential photocatalysts for this reaction ...

Amer Chemical Soc2024

Efficient and insightful descriptors for representing molecular and material space

Alexander Jan Goscinski

Data-driven approaches have been applied to reduce the cost of accurate computational studies on materials, by using only a small number of expensive reference electronic structure calculations for a representative subset of the materials space, and using ...

EPFL2024

Atomic-scale Characterization of Strain and Gate effects on Two-dimensional Materials by Scanning Tunneling Microscopy

Jz -Yuan Juo

Strain is an inevitable phenomenon in two-dimensional (2D) material, regardless of whether the film is suspended or supported. Moreover, strain is known to alter the physical and chemical properties, such as the band gap, charge carrier effective masses, d ...

EPFL2023

A universal route to efficient non-linear response via Thomson scattering in linear solids

Gabriel Aeppli, Cheng Wang, Joe Martin Bailey, Junjie Li, Ji Zhou

Non-linear materials are cornerstones of modern optics and electronics. Strong dependence on the intrinsic properties of particular materials, however, inhibits the at-will extension of demanding non-linear effects, especially those second-order ones, to w ...

OXFORD UNIV PRESS2023

Experimental testing and structural analysis of composite tile – reinforced concrete domes

Savvas Saloustros

Conventional formworks for concrete curved shells either are expensive, complex and wasteful or have formal restrictions. Using tile vaults (also known as timbrel, Guastavino, thin-tile or Catalan vaults) as stay-in-place formwork for concrete shells could ...

2023

Topological Effects in Carbon-based Two-dimensional Nanostructures

Yifei Guan

Recent advances on low-dimensional and topological materials has greatly inspired the research in condensed matter physics. This thesis is devoted to the computational and theoretical study of topological effects in two-dimensional materials, especially na ...

EPFL2023

Nonlinear Photoluminescence in Gold Thin Films

Sergejs Boroviks

Promisingapplications in photonics are driven by the ability tofabricate crystal-quality metal thin films of controlled thicknessdown to a few nanometers. In particular, these materials exhibit ahighly nonlinear response to optical fields owing to the indu ...

AMER CHEMICAL SOC2023