Photo: Daniele Coslovich
Contact:
Laboratoire Charles Coulomb
Université de Montpellier
Place Eugène Bataillon
34095 Montpellier (France)
Phone: +33 (0)4 67149306
daniele.coslovich(at)umontpellier.fr

Research interests


My research interests concern the physics of disordered states of matter, with particular focus on the microscopic mechanisms of glass formation and on glass structure. I am also interested in modeling the peculiar phase behavior, structure and dynamics of soft condensed matter.

My work is based on the methods of statistical physics and on computer simulations. Over the years I developed a computational approach based on reproducible research, high-performance computing and on high-level simulation frameworks like atooms, which I develop.

Recent papers and seminars


"Assessing the structural heterogeneity of supercooled liquids through community inference"
J. Paret, R. Jack, D. Coslovich, The Journal of Chemical Physics 152, 144502 (2020)

"A localization transition underlies the mode-coupling crossover of glasses"
D. Coslovich, A. Ninarello, L. Berthier, SciPost Physics 7, 077 (2019)

"Dynamic and thermodynamic crossover scenarios in the Kob-Andersen mixture: Insights from multi-CPU and multi-GPU simulations"
D. Coslovich, M. Ozawa, W. Kob, The European Physical Journal E 41, 62 (2018)

"Local order and crystallization of dense polydisperse hard spheres"
D. Coslovich, M. Ozawa, L. Berthier, Journal of Physics: Condensed Matter 30, 144004 (2018)

"Statistical inference of structural communities in supercooled liquids"
Laboratoire de Physiques de Solides, Université Paris-Sud, Paris (France), 2020

"Structural communities"
Meeting of the Simons collaboration "Cracking the glass problem", Royaumont (France), 2019

"A new characteristic temperature for glassy dynamics"
Viscous Liquids and the Glass Transition (XVI), Holbaek (Denmark), 2019

"Towards a coherent picture of the mode-coupling glass crossover"
The Physical Society of Japan 2019 Annual (74th) Meeting, Fukuoka (Japan), 2019

Codes


The codes below are available on my git repository

I developed a python framework called atooms to perform computer simulations and analyze their results. It provides an expressive, high-level interface to the main objects of particle simulations.

Atooms


Atooms is a collection of python packages that provide a high-level, yet efficient framework to deal with particle-based simulations, such as molecular dynamics or Monte Carlo. It is composed by a base library and additional packages that implement complex simulation strategies or analysis tools.

Plot

Tutorial » Notebook » Public API »

Parallel tempering


Atooms-pt is the first simulation package I built on top of the atooms framework. It implements a multi-GPU parallel tempering simulation and relies on RUMD, an efficient molecular dynamics code developed by Glass and Time at the University of Roskilde.

Plot

Tutorial »

Postprocessing


The atooms-pp package provides python tools to compute static and dynamic correlation functions from particle-based simulation data.

Plot

Francesco Turci contributed a jupyter notebook showing how to compute static and dynamic correlations of a Lennard-Jones mixture using the postprocessing package.

Tutorial » Notebook »

Transition path sampling


The atooms-tps package, developed in collaboration with Francesco Turci, provides a generic frontend to transition path sampling simulations, which allow to sample rare fluctuations in the trajectory space of a dynamical system.

TASEP


TASEP is a minimal and pedagogical implementation of a totally asymmetric exclusion process with atooms. Developed toghether with Luca Ciandrini


gridengine-goodies

The gridengine-goodies package provides a few command line scripts that enhance the usability of the gridengine scheduling system.

orgnb

A script to convert an org-mode document with python blocks to jupyter notebook. It relies on pypandoc and jupyter modules.

TCC wrap

TCC wrap is a little command line wrapper to the Topological Cluster Classification code developed by Paddy Royall and coworkers at the University of Bristol.

Reproducible research and data


I use the zenodo data repository to store citeable datasets and workflow associated to my research papers, as well as code snapshots. Here are a few recent data sets of mine
  • Dataset and workflow for "A localization transition underlies the mode-coupling crossover of glasses" arXiv:1811.03171 (2019)
    https://doi.org/10.5281/zenodo.1478600
  • Dataset for "Dynamic and thermodynamic crossover scenarios in the Kob-Andersen mixture: Insights from multi-CPU and multi-GPU simulations" Eur. Phys. J. E 62, 41 (2018)
    https://doi.org/10.5281/zenodo.1227831
  • Dataset for "Local order and crystallization of dense polydisperse hard spheres" J. Phys.: Condens. Matter 30, 144004 (2018)
    https://doi.org/10.5281/zenodo.1183325

I use a federated, self-hosted nextcloud server to share data and projects with colleagues
Share with me via Nextcloud

Teaching


I am the teaching supervisor of the 2nd year of Physics degree at the University of Montpellier

Useful links for students of "L2 physique"

This year I am teaching:

HLPH101 Physique générale

  • Introductory classical mechanics (exercices)

HLPH305 Thermodynamique 2

  • Axiomatic formulation of thermodynamics
  • Thermodynamic potentials and application to phase transitions
  • Introduction to irreversible phenomena
  • Microscopic interpretation of temperature, pressure, entropy

HLPH402 Modélisation et algorithmique

  • Introduction to python
  • Solution of linear differential equations and application to population dynamics models
  • Random walks

HMPH308 Simulations atomistiques avancées

  • Code optimization, vectorization
  • Parallelization with OpenMP and MPI
  • Neighbor lists and optimization strategies for molecular simulations
  • Parallel molecular dynamics