100 citations · 636 across the 31 of their papers we have counts for
31 papers
Can MACE Potentials Accurately Describe Magnetism and Phase Stability in Fe-Ni Alloys? A Systematic Benchmark
Kushal Ramakrishna, Mani Lokamani, Attila Cangi
We present a systematic benchmark of MACE potentials for iron-nickel alloys, focusing on structural, elastic, magnetic, and finite-temperature properties relevant to phase stabilit…
Thermal PBE in warm dense matter: Does it matter and is it accurate?
Kushal Ramakrishna, Mani Lokamani, Zhandos A. Moldabekov +3
Conditional probability density functional theory has recently been used to derive the temperature dependence of the Perdew-Burke-Ernzerhof (PBE) generalized gradient approximation…
Prediction of atomic H adsorption energies in metalloid doped MSSe (M = Mo/W) Janus layers: A combined DFT and machine learning study
G. Tejaswini, Anjana E Sudheer, Amrendra Kumar +9
Janus derivatives of 2H MX2 (M = Mo/W; X = S/Se), namely MSSe, have already been experimentally realized and explored for applications in photocatalysis, photovoltaics, and optoele…
Strong geometry dependence of the X-ray Thomson Scattering Spectrum in single crystal silicon
Thomas Gawne, Zhandos A. Moldabekov, Oliver S. Humphries +17
We report on results from an experiment at the European XFEL where we measured the x-ray Thomson scattering (XRTS) spectrum of single crystal silicon with ultrahigh resolution. Com…
Electrical Conductivity of Warm Dense Hydrogen from Ohm's Law and Time-Dependent Density Functional Theory
Kushal Ramakrishna, Mani Lokamani, Attila Cangi
Understanding the electrical conductivity of warm dense hydrogen is critical for both fundamental physics and applications in planetary science and inertial confinement fusion. We…
Effects of Mosaic Crystal Instrument Functions on X-ray Thomson Scattering Diagnostics
Thomas Gawne, Hannah Bellenbaum, Luke B. Fletcher +36
Mosaic crystals, with their high integrated reflectivities, are widely-employed in spectrometers used to diagnose high energy density systems. X-ray Thomson scattering (XRTS) has e…