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Davide Tisi's Projects

analisi icon analisi

Code to analyze molecular dynamics trajectory

covid-19 icon covid-19

COVID-19 Italia - Monitoraggio situazione

data_analysis_for_qeheat icon data_analysis_for_qeheat

The data analysis Jupiter Notebook given as supplementary material for the paper "QEHeat: An open-source energy flux calculator for the computation of heat-transport coefficients from first principles" arXiv:2104.06383

deepmd-kit icon deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

equistore icon equistore

Storage format for equivariant atomistic machine learning

i-pi icon i-pi

i-PI: a universal force engine

lammps icon lammps

Public development project of the LAMMPS MD software package

mltransition icon mltransition

repo with the code for the phase transition drove by descriptor difference

pet icon pet

Point Edge Transformer

rascaline icon rascaline

Computing representations for atomistic machine learning

thermocepstrum icon thermocepstrum

Code to compute thermal conductivity through cepstral analysis of heat flux time series.

ulysses-doc icon ulysses-doc

The missing documentation for the cluster Ulysses @ SISSA

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