Rajiv K Kalia

4PUBLICATIONS
17CO-AUTHORS
Theoretical quantum chemistrySurface water hydrologyContaminant hydrologyNanofabrication, growth and self assembly
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Publications (4)

|Jul 02, 2026
Chemical intuition on bond-dissociation energies as an emergent ability of universal machine-learning interatomic potentials.

|Jan 08, 2026
Supercritical water at ten densities from 0.1 to 1.0 gr/cc at 1000 K using ab initio molecular dynamics simulations.

Nitish Baradwaj, Ken-Ichi Nomura, Aiichiro Nakano

|Apr 03, 2024
Alkali hydroxide (LiOH, NaOH, KOH) in water: Structural and vibrational properties, including neutron scattering results.

Ruru Ma, Nitish Baradwaj, Ken-Ichi Nomura

|Apr 07, 2023
Tailoring the Angular Mismatch in MoS2 Homobilayers through Deformation Fields.

Kory Burns, Anne Marie Z Tan, Jordan A Hachtel

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Frequent Collaborators

4 joint publications

Aiichiro Nakano

3 joint publications

Rajiv Kalia

3 joint publications

Priya Vashishta

3 joint publications

Ken-Ichi Nomura