Saumitra Saha

Application of sampling theory in modelling of continuum processes: photoionization cross-sections of atoms

A Kozlov, S Saha, HM Quiney

Journal article  |  2017  |  Journal of Physics B: Atomic, Molecular and Optical Physics

Solvent effects on the excited state characteristics of adenine-thymine base pairs

S Saha, HM Quiney

Journal article  |  2017  |  RSC Advances

Temperature dependent lattice misfit and coherency of Al3X (X = Sc, Zr, Ti and Nb) particles in an Al matrix

Saumitra Saha, TZ Todorova, JW Zwanziger

Journal article  |  2015  |  Acta Materialia

The effect of the aliphatic carboxylate linkers on the electronic structures, chemical bonding and optical properties of the uranium-based metal-organic frameworks

Saumitra Saha, Udo Becker

Journal article  |  2015  |  RSC Advances

Elastic properties of ternary (Al-x,Mg1-x)Sc random alloys from first principles methods

Saumitra Saha, JW Zwanziger

Journal article  |  2014  |  Journal of Alloys and Compounds

Ab initio modeling of Np incorporation in uranium-based metal organic frameworks

Saumitra Saha, Udo Becker

Conference Proceedings  |  2014  |  ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY

First-principles molecular dynamics modeling of the molten fluoride salt with Cr solute

HO Nam, A Bengtson, K Vortler, S Saha, R Sakidja, D Morgan

Journal article  |  2014  |  Journal of Nuclear Materials

First-principles molecular dynamics modeling of the LiCl-KCl molten salt system

Amelia Bengtson, Hyo On Nam, Saumitra Saha, Ridwan Sakidja, Dane Morgan

Journal article  |  2014  |  Computational Materials Science

Effect of anomalous compressibility on Fe diffusion in ferropericlase throughout the spin crossover in the lower mantle

Saumitra Saha, Amelia Bengtson, Dane Morgan

Journal article  |  2013  |  Earth and Planetary Science Letters

Diffusion of transition metals in periclase by experiment and first-principles, with implications for core-mantle equilibration during metal percolation

Katherine L Crispin, Saumitra Saha, Dane Morgan, James A Van Orman

Journal article  |  2012  |  Earth and Planetary Science Letters