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20052024
most citedAdvanced capabilities for materials modelling with Quantum ESPRESSO

7.7k citations

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7 papers · 1 filter

cond-mat.mtrl-sci20218 cited

Unveiling the multi-level structure of midgap states in Sb-doped MoX (X = S, Se, Te) monolayers

Marcos G. Menezes, Saif Ullah

In this study, we use DFT calculations to investigate the electronic and structural properties of MoX (X = S, Se, Te) monolayers doped with substitutional Sb atoms, with a cent…

stat.ME2021

Flexible Principal Component Analysis for Exponential Family Distributions

Tonglin Zhang, Baijian Yang, Qianqian Song +1

Traditional principal component analysis (PCA) is well known in high-dimensional data analysis, but it requires to express data by a matrix with observations to be continuous. To o…

cond-mat.str-el202111 cited

Spin Vortex Crystal Order in Organic Triangular Lattice Compound

Kira Riedl, Elena Gati, David Zielke +8

Organic salts represent an ideal experimental playground for studying the interplay between magnetic and charge degrees of freedom, which has culminated in the discovery of several…

math.CO2021

Skew row-strict quasisymmetric Schur functions

Sarah K. Mason, Elizabeth Niese

Mason and Remmel introduced a basis for quasisymmetric functions known as the row-strict quasisymmetric Schur functions. This basis is generated combinatorially by fillings of comp…

q-bio.QM2021

Analyzing the Spatiotemporal Interaction and Propagation of ATN Biomarkers in Alzheimer's Disease using Longitudinal Neuroimaging Data

Qing Liu, Defu Yang, Jingwen Zhang +3

Three major biomarkers: beta-amyloid (A), pathologic tau (T), and neurodegeneration (N), are recognized as valid proxies for neuropathologic changes of Alzheimer's disease. While t…

stat.ME202116 cited

Quantifying Uncertainty in Infectious Disease Mechanistic Models

Lucy D'Agostino McGowan, Kyra H. Grantz, Eleanor Murray

This primer describes the statistical uncertainty in mechanistic models and provides R code to quantify it. We begin with an overview of mechanistic models for infectious disease,…