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Related publications (28)

New and improved methods for integrated models of metabolism and gene expression

Pierre Guy Rémy Salvy

The beginning of the 21st century was marked by the advent of disruptive technologies, which ushered an era of groundbreaking advances in fundamental sciences, carried by the great pace at which computational capabilities spread and evolved. But the new ce ...

EPFL2021

Physics-Inspired Structural Representations for Molecules and Materials

Michele Ceriotti, Félix Benedito Clément Musil, Andrea Grisafi

The first step in the construction of a regression model or a data-driven analysis, aiming to predict or elucidate the relationship between the atomic-scale structure of matter and its properties, involves transforming the Cartesian coordinates of the atom ...

AMER CHEMICAL SOC2021

Guidelines for performing lignin-first biorefining

Jeremy Luterbacher, Feng Wang

The valorisation of the plant biopolymer lignin is now recognised as essential to enabling the economic viability of the lignocellulosic biorefining industry. In this context, the "lignin-first" biorefining approach, in which lignin valorisation is conside ...

2021

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

Crossover between distinct symmetries in solid solutions of rare earth nickelates

Duncan Thomas Lindsay Alexander, Bernat Mundet, Jean-Marc Triscone

A strong coupling of the lattice to functional properties is observed in many transition metal oxide systems, such as the ABO(3) perovskites. In the quest for tailor-made materials, it is essential to be able to control the structural properties of the com ...

2021

Design and fabrication of an aerosol collector for infrared spectroscopy analysis

Nikunj Dudani

Particulate matter (PM) pollution causes adverse health effects and millions of deaths each year. PM or aerosol, is difficult to characterize because of its wide range of particle sizes, constituents (various organic and inorganic compounds), concentration ...

EPFL2021

Strength-promoting mechanism of alkanolamines on limestone-calcined clay cement and the role of sulfate

Karen Scrivener, François Henri Avet, Xuerun Li, Wilasinee Hanpongpun, Hong Huang

This paper reports the strength-promoting mechanism of alkanolamines on limestone-calcined clay cement (LC3). The hydration kinetics, phase formation and microstructure of LC3 with triethanolamine (TEA) or triisopropanolamine (TIPA) were investigated. TEA ...

Pergamon-Elsevier Science Ltd2021

Developing the Chemistry of Colloidal Cu Nanocrystals to Advance the CO2 Electrochemical Reduction

Raffaella Buonsanti

The ability to tailor make materials with atomic scale precision is crucial for understanding the sensitivities of their performance parameters and for achieving the design specification corresponding to optimal device operation. Herein, this topic is disc ...

SWISS CHEMICAL SOC2021

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