Publications by authors named "Marnik Bercx"

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A python workflow definition for computational materials design.
Jan Janssen, Janine George, Julian Geiger, Marnik Bercx, Xing Wang

Digit Discov· November 2025

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Massive Atomic Diversity: a compact universal dataset for atomistic machine learning.
Arslan Mazitov, Sofiia Chorna, Guillaume Fraux, Marnik Bercx, Giovanni Pizzi

Sci Data· November 2025

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First-principles Hubbard parameters with automated and reproducible workflows.
Lorenzo Bastonero, Cristiano Malica, Eric Macke, Marnik Bercx, Sebastiaan Huber

NPJ Comput Mater· June 2025

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The rule of four: anomalous distributions in the stoichiometries of inorganic compounds.
Elena Gazzarrini, Rose K Cersonsky, Marnik Bercx, Carl S Adorf, Nicola Marzari

NPJ Comput Mater· April 2024

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An in-depth study of Sn substitution in Li-rich/Mn-rich NMC as a cathode material for Li-ion batteries.
Andreas Paulus, Mylène Hendrickx, Marnik Bercx, Olesia M Karakulina, Maria A Kirsanova

Dalton Trans· August 2020

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Interstitial defects in the van der Waals gap of BiSe.
Carolien Callaert, Marnik Bercx, Dirk Lamoen, Joke Hadermann

Acta Crystallogr B Struct Sci Cryst Eng Mater· August 2019

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Accelerated Discovery of Efficient Solar-cell Materials using Quantum and Machine-learning Methods.
Kamal Choudhary, Marnik Bercx, Jie Jiang, Ruth Pachter, Dirk Lamoen

Chem Mater· January 2019

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Structure and vacancy distribution in copper telluride nanoparticles influence plasmonic activity in the near-infrared.
Tom Willhammar, Kadir Sentosun, Stefanos Mourdikoudis, Bart Goris, Mert Kurttepeli, Marnik Bercx

Nat Commun· March 2017

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Correction: First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon.
Marnik Bercx, Nasrin Sarmadian, Rolando Saniz, Bart Partoens, Dirk Lamoen

Phys Chem Chem Phys· February 2017

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First-principles analysis of the spectroscopic limited maximum efficiency of photovoltaic absorber layers for CuAu-like chalcogenides and silicon.
Marnik Bercx, Nasrin Sarmadian, Rolando Saniz, Bart Partoens, Dirk Lamoen

Phys Chem Chem Phys· July 2016

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