[HTML][HTML] Array programming with NumPy

CR Harris, KJ Millman, SJ Van Der Walt, R Gommers… - Nature, 2020 - nature.com
Array programming provides a powerful, compact and expressive syntax for accessing,
manipulating and operating on data in vectors, matrices and higher-dimensional arrays …

[HTML][HTML] SciPy 1.0: fundamental algorithms for scientific computing in Python

P Virtanen, R Gommers, TE Oliphant, M Haberland… - Nature …, 2020 - nature.com
SciPy is an open-source scientific computing library for the Python programming language.
Since its initial release in 2001, SciPy has become a de facto standard for leveraging …

A mobile robotic chemist

B Burger, PM Maffettone, VV Gusev, CM Aitchison… - Nature, 2020 - nature.com
Technologies such as batteries, biomaterials and heterogeneous catalysts have functions
that are defined by mixtures of molecular and mesoscale components. As yet, this multi …

Star clusters across cosmic time

MR Krumholz, CF McKee… - Annual Review of …, 2019 - annualreviews.org
Star clusters stand at the intersection of much of modern astrophysics: the ISM, gravitational
dynamics, stellar evolution, and cosmology. Here, we review observations and theoretical …

The atomic simulation environment—a Python library for working with atoms

AH Larsen, JJ Mortensen, J Blomqvist… - Journal of Physics …, 2017 - iopscience.iop.org
The atomic simulation environment (ASE) is a software package written in the Python
programming language with the aim of setting up, steering, and analyzing atomistic …

Matminer: An open source toolkit for materials data mining

L Ward, A Dunn, A Faghaninia… - Computational Materials …, 2018 - Elsevier
As materials data sets grow in size and scope, the role of data mining and statistical learning
methods to analyze these materials data sets and build predictive models is becoming more …

Identifying highly influential nodes in the complicated grief network.

DJ Robinaugh, AJ Millner… - Journal of abnormal …, 2016 - psycnet.apa.org
The network approach to psychopathology conceptualizes mental disorders as networks of
mutually reinforcing nodes (ie, symptoms). Researchers adopting this approach have …

[HTML][HTML] Phylosymbiosis: relationships and functional effects of microbial communities across host evolutionary history

AW Brooks, KD Kohl, RM Brucker, EJ van Opstal… - PLoS …, 2016 - journals.plos.org
Phylosymbiosis was recently proposed to describe the eco-evolutionary pattern, whereby
the ecological relatedness of host-associated microbial communities parallels the phylogeny …

QuSpin: a Python package for dynamics and exact diagonalisation of quantum many body systems part I: spin chains

P Weinberg, M Bukov - SciPost Physics, 2017 - scipost.org
We present a new open-source Python package for exact diagonalization and quantum
dynamics of spin (-photon) chains, called QuSpin, supporting the use of various symmetries …

OpenPNM: a pore network modeling package

J Gostick, M Aghighi, J Hinebaugh… - … in Science & …, 2016 - ieeexplore.ieee.org
Pore network modeling is a widely used technique for simulating multiphase transport in
porous materials, but there are very few software options available. This work outlines the …