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Publications associées (34)

Modelling of metal alloys in realistic conditions with machine learning

Computer simulations based on statistical methods have emerged as a powerful tool for studying structure-property relationships at the atomistic level. However, to provide reliable insights into materials in realistic conditions, it is essential to accurat ...

EPFL2023

Structural and analytical identifications of biomolecules by cold ion spectroscopy of non-covalent complexes

Erik Saparbayev

Non-covalent interactions are ubiquitous in nature. The diversity and functionality of these interactions are employed by nature as a universal tool for building the molecular mechanism of life. Although weak, these interactions play a key role in both for ...

EPFL2021

Microhydration of Biomolecules: Revealing the Native Structures by Cold Ion IR Spectroscopy

Andrei Zviagin, Viktoriia Aladinskaia

The native-like structures of protonated glycine and peptide Gly3H+ were elucidated using cold ion IR spectroscopy of these biomolecules hydrated by a controlled number of water molecules. The complexes were generated directly from an aqueous solution usin ...

2021

Element location and classification following a damage event of a near-full-scale deployable tensegrity structure

Ian Smith, Ann Christine Sychterz

Current infrastructure is designed and built such that it must resistall possible loads. This leads to overdesigned structures that are inefficient in terms energy and cost. A structure that can self-identify damage, adapt, and learn for future events resu ...

2019

Critical raw materials: A perspective from the materials science community

Heinrich Hofmann

Functional materials are crucial to meet today's societal challenges and needs, such as the transition towards low carbon energy production to reduce climate change, renewable energies and green economy, clean mobility and improved communication. In order ...

ELSEVIER SCIENCE BV2018

A unified description of ordering in HCP Mg-RE alloys

Anirudh Raju Natarajan

High throughput first-principles calculations were employed to unravel the thermodynamic stability of two sets of hierarchical phases, β′′′P and β′′′S, in Mg-RE (rare-earth) alloys. The β′′′P orderings (with compositions greater than xRE=0.125) are predict ...

Elsevier2017

Genetic-Algorithm-Based Optimization of a Peptidic Scaffold for Sequestration and Hydration of CO

Ursula Röthlisberger, Elizabeth Claire Brunk, Marta Andreia Da Silva Perez

Biomimicry is a strategy that makes practical use of evolution to find efficient and sustainable ways to produce chemical compounds or engineer products. Exploring the natural machinery of enzymes for the production of desired compounds is a highly profita ...

2016

A Gibeon meteorite yields a high-performance water oxidation electrocatalyst

Paul Joseph Dyson, Arnaud Magrez, Kevin Sivula, Nestor Guijarro Carratala, Florian Le Formal, Mathieu Steven Prévot, Aswin Gopakumar, Wiktor Stefan Bourée, Charlotte Marie Sornay, Julie Voit

Examining the electrocatalytic performance of naturally-occurring metallic minerals is of interest for energy conversion applications given their unique atomic composition and formation history. Herein, we report the electrocatalytic function of an iron-ba ...

2016

Pamidronate Functionalized Nanoconjugates for Targeted Therapy of Focal Skeletal Malignant Osteolysis

Li Tang

Malignant osteolysis associated with inoperable primary bone tumors and multifocal skeletal metastases remains a challenging clinical problem in cancer patients. Nanomedicine that is able to target and deliver therapeutic agents to diseased bone sites coul ...

2016

Bandgap Tunability in Sb-Alloyed BiVO4 Quaternary Oxides as Visible Light Absorbers for Solar Fuel Applications

Raffaella Buonsanti, Anna Loiudice

One approach to reducing the bandgap is the utilization of ternary and quaternary oxides, which have been receiving increased attention as light absorbers that, critically, also supply the potential needed to drive multi-electron oxidn. reactions. In this ...

2015

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