Publications by authors named "Paul Saxe"

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SEAMM: A Simulation Environment for Atomistic and Molecular Modeling.
Paul Saxe, Jessica Nash, Mohammad Mostafanejad, Eliseo Marin-Rimoldi, Hasnain Hafiz

J Phys Chem A· July 2025

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Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science.
Anna Krylov, Theresa L Windus, Taylor Barnes, Eliseo Marin-Rimoldi, Jessica A Nash, Paul Saxe

J Chem Phys· November 2018

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Ab initio calculations for industrial materials engineering: successes and challenges.
Erich Wimmer, Reza Najafabadi, George A Young, Jake D Ballard, Thomas M Angeliu, Paul Saxe

J Phys Condens Matter· September 2010

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Integrated experimental-theoretical investigation of the Na-Li-Al-H system.
Susanne M Opalka, Ole M Løvvik, Hendrik W Brinks, Paul W Saxe, Bjørn C Hauback

Inorg Chem· February 2007

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Symmetry-general ab initio computation of physical properties using quantum software integrated with crystal structure databases: results and perspectives.
Yvon Le Page, Paul W Saxe, John R Rodgers

Acta Crystallogr B· June 2002

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