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MLatom

MLatom

A Package for Atomistic Simulations with Machine Learning

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Home › View all posts by Fuchun Ge

Author: Fuchun Ge

Speeding up quantum dissipative dynamics of open systems with kernel methods

By Fuchun Ge Posted on March 25, 2022 Posted in Featured Publication No Comments
Speeding up quantum dissipative dynamics of open systems with kernel methods

Arif Ullah, Pavlo O. Dral, Speeding up Quantum Dissipative Dynamics of Open Systems with Kernel Methods. New J. Phys. 2021, 23, 113019. DOI: 10.1088/1367-2630/ac3261. Blog post ›

Benchmarking machine learning potentials

By Fuchun Ge Posted on September 24, 2021 Posted in Featured Publication, News No Comments Tagged with publication, release
Benchmarking machine learning potentials

Max Pinheiro Jr, Fuchun Ge, Nicolas Ferré, Pavlo O. Dral, Mario Barbatti. Choosing the right molecular machine learning potential. Chem. Sci., 2021, 12, 14396–14413. DOI: 10.1039/D1SC03564A. Blog post › | Tutorial ›

News & Posts

  • MLatom joins Xiamen Atomistic Computing Suite
  • Toward Chemical Accuracy in Predicting Enthalpies of Formation with General-Purpose Data-Driven Methods
  • Speeding up quantum dissipative dynamics of open systems with kernel methods
  • AIQM1: Artificial Intelligence–Quantum Mechanical Method 1
  • MLatom gets GUI

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