Suresh
Title
Cited by
Cited by
Year
Neural network molecular dynamics simulations of solid–liquid interfaces: water at low-index copper surfaces
S Kondati Natarajan, J Behler
Physical Chemistry Chemical Physics 18 (41), 28704-28725, 2016
932016
Representing the potential-energy surface of protonated water clusters by high-dimensional neural network potentials
S Kondati Natarajan, T Morawietz, J Behler
Physical Chemistry Chemical Physics 17 (13), 8356-8371, 2015
622015
Equilibrium magnesium isotope fractionation between aqueous Mg 2+ and carbonate minerals: Insights from path integral molecular dynamics
C Pinilla, M Blanchard, E Balan, S Kondati Natarajan, R Vuilleumier, ...
Geochimica et Cosmochimica Acta, 2015
412015
Self-Diffusion of Surface Defects at Copper-Water Interfaces
S Kondati Natarajan, J Behler
The Journal of Physical Chemistry C, 2017
262017
Modeling the chemical mechanism of the thermal atomic layer etch of aluminum oxide: A density functional theory study of reactions during HF exposure
S Kondati Natarajan, SD Elliott
Chemistry of Materials 30 (17), 5912-5922, 2018
242018
Self-Limiting Temperature Window for Thermal Atomic Layer Etching of HfO2 and ZrO2 Based on the Atomic-Scale Mechanism
R Mullins, S Kondati Natarajan, SD Elliott, M Nolan
Chemistry of Materials 32 (8), 3414-3426, 2020
52020
Ru passivated and Ru doped ε-TaN surfaces as a combined barrier and liner material for copper interconnects: a first principles study
SK Natarajan, CL Nies, M Nolan
Journal of Materials Chemistry C 7 (26), 7959-7973, 2019
52019
Mechanism of Thermal Atomic Layer Etch of W Metal Using Sequential Oxidation and Chlorination: A First-Principles Study
S Kondati Natarajan, M Nolan, P Theofanis, C Mokhtarzadeh, ...
ACS Applied Materials & Interfaces 12 (32), 36670-36680, 2020
22020
The role of Ru passivation and doping on the barrier and seed layer properties of Ru-modified TaN for copper interconnects
S Kondati Natarajan, CL Nies, M Nolan
The Journal of Chemical Physics 152 (14), 144701, 2020
22020
Particle Swarm Based Hyper-Parameter Optimization for Machine Learned Interatomic Potentials
S Kondati Natarajan, M Caro
arXiv:2101.00049 [cond-mat.mtrl-sci], 2021
2021
Computer Simulations of copper-water interface
S Kondati Natarajan
2017
Corrigendum to" Equilibrium magnesium isotope fractionation between aqueous Mg2+ and carbonate minerals: Insights from path integral molecular dynamics"[Geochim. Cosmochimá…
C Pinilla, M Blanchard, E Balan, S Kondati Natarajan, R Vuilleumier, ...
Geochimica et Cosmochimica Acta 167, 313-314, 2015
2015
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