James R. Kermode

According to our database, James R. Kermode authored at least 5 papers between 2016 and 2024.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of five.

2024

matscipy: materials science at the atomic scale with Python.

Petr Grigorev, Lucas Frérot, Fraser Birks, Adrien Gola, Jacek Golebiowski, Jan Grießer, Johannes L. Hörmann, Andreas Klemenz, Gianpietro Moras, Wolfram G. Nöhring, Jonas A. Oldenstaedt, Punit Patel, Thomas Reichenbach, Thomas Rocke, Lakshmi Shenoy, Michael Walter, Simon Wengert, Lei Zhang, James R. Kermode, Lars Pastewka

J. Open Source Softw., January, 2024

2023

Massively parallel fitting of Gaussian approximation potentials.

Sascha Klawohn, James R. Kermode, Albert P. Bartók

Mach. Learn. Sci. Technol., March, 2023

2022

A Posteriori Error Estimate and Adaptivity for QM/MM Models of Crystalline Defects.

Yangshuai Wang, James R. Kermode, Christoph Ortner, Lei Zhang

CoRR, 2022

2018

Imeall: A computational framework for the calculation of the atomistic properties of grain boundaries.

Henry Lambert, Ádám Fekete, James R. Kermode, A. De Vita

Comput. Phys. Commun., 2018

2016

Development of an exchange-correlation functional with uncertainty quantification capabilities for density functional theory.

Manuel Aldegunde, James R. Kermode, Nicholas Zabaras

J. Comput. Phys., 2016