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Theoretical Prediction of Two-Dimensional Materials, Behavior, and Properties

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Computational Homogenization for Inverse Design of Surface-based Inflatables

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

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 ...

2024

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

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

3DHumanGAN: 3D-Aware Human Image Generation with 3D Pose Mapping

Zhuoqian Yang, Siyuan Li

We present 3DHumanGAN, a 3D-aware generative adversarial network that synthesizes photo-like images of fullbody humans with consistent appearances under different view-angles and body-poses. To tackle the representational and computational challenges in sy ...

Ieee Computer Soc2023

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

Data-Driven C-Refinement A proof-of-concept

Jean-François Molinari, Antonio Joaquin Garcia Suarez, Sacha Zenon Wattel

This poster was presented at the IUTAM Symposium on Data-driven mechanics, taking place in Paris, France in Octoboer 2022. It shows a proof-of-concept for a new application of Data-Driven Computational Mechanics (DDCM): using it as a new type of adaptive r ...

2022

The metabolic engineering community relies on computational methods for pathway design to produce important small molecules in microbial hosts. Metabolic network databases are continuously curated and updated with known and novel reactions that expand the ...

CURRENT BIOLOGY LTD2022

On September 20, 1770, the brothers Jean-André and Guillaume-Antoine Deluc, two scientists from Geneva, finally reached the summit of Mont Buet (3096m) after two unsuccessful attempts. From this vantage point overlooking the Alps and Mont Blanc, they perfo ...

2022

A data-driven perspective on the colours of metal-organic frameworks

Berend Smit, Luc Patiny, Seyedmohamad Moosavi, Kevin Maik Jablonka, Mehrdad Asgari, Christopher Patrick Ireland

Colour is at the core of chemistry and has been fascinating humans since ancient times. It is also a key descriptor of optoelectronic properties of materials and is often used to assess the success of a synthesis. However, predicting the colour of a materi ...

2021

Physics-enhanced machine learning with symmetry-adapted and long-range representations

Andrea Grisafi

Theoretical and computational approaches to the study of materials and molecules have, over the last few decades, progressed at an exponential rate. Yet, the possibility of producing numerical predictions that are on par with experimental measurements is t ...

EPFL2021