Paul Saxe
Molecular Sciences Software Institute(US)Virginia Tech(US)
Publications by Year
Research Areas
Parallel Computing and Optimization Techniques, Mathematics, Computing, and Information Processing, Algorithms and Data Compression, Diverse Scientific and Economic Studies, Advanced Chemical Physics Studies
Most-Cited Works
- → Symmetry-general least-squares extraction of elastic data for strained materials fromab initiocalculations of stress(2002)1,293 cited
- → Symmetry-general least-squares extraction of elastic coefficients fromab initiototal energy calculations(2001)289 cited
- → Temperature-dependent diffusion coefficients fromab initiocomputations: Hydrogen, deuterium, and tritium in nickel(2008)218 cited
- → Ab Initiothermodynamic and elastic properties of alkaline-earth metals and their hydrides(2007)110 cited
- → Perspective: Computational chemistry software and its advancement as illustrated through three grand challenge cases for molecular science(2018)102 cited
- → Reconciliation of ab initio theory and experimental elastic properties of Al2O3(2004)81 cited