100 citations · 636 across the 31 of their papers we have counts for
7 papers · 1 filter
Inverting the Kohn-Sham equations with physics-informed machine learning
Vincent Martinetto, Karan Shah, Attila Cangi +1
Electronic structure theory calculations offer an understanding of matter at the quantum level, complementing experimental studies in materials science and chemistry. One of the mo…
Probing Iron in Earth's Core With Molecular-Spin Dynamics
Svetoslav Nikolov, Kushal Ramakrishna, Andrew Rohskopf +5
Dynamic compression of iron to Earth-core conditions is one of the few ways to gather important elastic and transport properties needed to uncover key mechanisms surrounding the ge…
Machine Learning-Driven Structure Prediction for Iron Hydrides
Hossein Tahmasbi, Kushal Ramakrishna, Mani Lokamani +1
We created a computational workflow to analyze the potential energy surface (PES) of materials using machine-learned interatomic potentials in conjunction with the minima hopping a…
Ab initio insights on the ultrafast strong-field dynamics of anatase TiO
Sruthil Lal S. B, Lokamani, Kushal Ramakrishna +5
Electron dynamics of anatase TiO under the influence of ultrashort and intense laser field is studied using the real-time time-dependent density functional theory (TDDFT). Our…
Physics-enhanced neural networks for equation-of-state calculations
Timothy J. Callow, Jan Nikl, Eli Kraisler +1
Rapid access to accurate equation-of-state (EOS) data is crucial in the warm-dense matter regime, as it is employed in various applications, such as providing input for hydrodynami…
Transferable Interatomic Potentials for Aluminum from Ambient Conditions to Warm Dense Matter
Sandeep Kumar, Hossein Tahmasbi, Kushal Ramakrishna +5
We present a study on the transport and materials properties of aluminum spanning from ambient to warm dense matter conditions using a machine-learned interatomic potential (ML-IAP…
Improving dynamic collision frequencies: impacts on dynamic structure factors and stopping powers in warm dense matter
Thomas W. Hentschel, Alina Kononov, Alexandra Olmstead +3
Simulations and diagnostics of high-energy-density plasmas and warm dense matter rely on models of material response properties, both static and dynamic (frequency-dependent). Here…