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Publications associées (28)

Many-body perturbation theory calculations using the yambo code

Antimo Marrazzo, Gianluca Prandini, Andrea Ferretti

yambo is an open source project aimed at studying excited state properties of condensed matter systems from first principles using many-body methods. As input, yambo requires ground state electronic structure data as computed by density functional theory c ...

2019

Urban planning support based on the photovoltaic potential of buildings: a multi-scenario ranking system

Giuseppe Peronato

An increased use of renewable energy and of energy efficiency measures in buildings is needed to face the urgency of climate change. Buildings are in fact among the highest worldwide consumers of primary energy, mostly of fossil fuel origin, while still ma ...

EPFL2019

Modelling Workflow for Segmented Timber Shells using Wood-wood Connections

Yves Weinand, Julien Gamerro, Nicolas Henry Pierre Louis Rogeau, Petras Vestartas

This paper presents a modelling method based on planarization for double-curved segmented timber shell made from quad polygons and assembled by wood-wood connections. The inspiration is taken from timber dome structures, where solid timber walls were built ...

Springer2019

Automated construction of symmetrized Wannier-like tight-binding models from ab initio calculations

Quansheng Wu

Wannier tight-binding models are effective models constructed from first-principles calculations. As such, they bridge a gap between the accuracy of first-principles calculations and the computational simplicity of effective models. In this work, we extend ...

AMER PHYSICAL SOC2018

Provenance, workflows, and crystallographic tools in materials science: AiiDA, spglib, and seekpath

Giovanni Pizzi, Boris Kozinsky

The near-exponential expansion in computing resources over the last few decades has enabled a rapid increase in the capabilities of computational science, including applications to materials research. In order to harness the available resources and acceler ...

CAMBRIDGE UNIV PRESS2018

Multiplexed Middle-Down Mass Spectrometry as a Method for Revealing Light and Heavy Chain Connectivity in a Monoclonal Antibody

Yury Tsybin, Natalia Gasilova, Laure Menin, Anton Kozhinov, Konstantin Nagornov, Luca Fornelli, Kristina Srzentic, Daniel Ayoub

Pairing light and heavy chains in monoclonal antibodies (mAbs) using top-down (TD) or middle-down (MD) mass spectrometry (MS) may complement the sequence information on single chains provided by high-throughput genomic sequencing and bottom-up proteomics, ...

AMER CHEMICAL SOC2018

Reconstruction and visualization of large-scale volumetric models of neocortical circuits for physically-plausible in silico optical studies

Henry Markram, Felix Schürmann, Marwan Muhammad Ahmed Abdellah, Juan Bautista Hernando Vieites, Stefan Eilemann, Nicolas Antille

Background: We present a software workflow capable of building large scale, highly detailed and realistic volumetric models of neocortical circuits from the morphological skeletons of their digitally reconstructed neurons. The limitations of the existing a ...

2017

A Simulation-Based Workflow to Assess Human-Centric Daylight Performance

Marilyne Andersen, María Lovísa Ámundadóttir, Siobhan Francois Rockcastle

This paper will present an annual simulation-based workflow for assessing human perceptual and non-visual responses to daylight across a series of view positions in an architectural case study. Through the integration of mathematical models used to predict ...

2017

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