Publications by authors named "Satya Bulusu"

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Self-consistent electron density with shell structure using neural network-based Pauli potential.
Aparna Gangwar, Satya S Bulusu, Amit Kumar Das, Arup Banerjee

J Chem Phys· January 2025

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Neural network learned Pauli potential for the advancement of orbital-free density functional theory.
Aparna Gangwar, Satya S Bulusu, Arup Banerjee

J Chem Phys· September 2023

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Structural evolution in gold nanoparticles using artificial neural network based interatomic potentials.
Shweta Jindal, Satya S Bulusu

J Chem Phys· April 2020

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A transferable artificial neural network model for atomic forces in nanoparticles.
Shweta Jindal, Satya S Bulusu

J Chem Phys· November 2018

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Correlation of structure with UV-visible spectra by varying SH composition in Au-SH nanoclusters.
Siva Chiriki, Shweta Jindal, Priya Singh, Satya S Bulusu

J Chem Phys· August 2018

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c-T phase diagram and Landau free energies of (AgAu) nanoalloy via neural-network molecular dynamic simulations.
Siva Chiriki, Shweta Jindal, Satya S Bulusu

J Chem Phys· October 2017

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Spherical harmonics based descriptor for neural network potentials: Structure and dynamics of Au nanocluster.
Shweta Jindal, Siva Chiriki, Satya S Bulusu

J Chem Phys· May 2017

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Structural Evolution of Gold Clusters Au (n = 21-25) Revisited.
Navneet Singh Khetrapal, Satya S Bulusu, Xiao Cheng Zeng

J Phys Chem A· March 2017

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Neural network potentials for dynamics and thermodynamics of gold nanoparticles.
Siva Chiriki, Shweta Jindal, Satya S Bulusu

J Chem Phys· February 2017

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Methanol clusters (CH3OH)n: putative global minimum-energy structures from model potentials and dispersion-corrected density functional theory.
Sergey Kazachenko, Satya Bulusu, Ajit J Thakkar

J Chem Phys· June 2013

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Density functional theory guided Monte Carlo simulations: application to melting of Na13.
Satya Bulusu, René Fournier

J Chem Phys· February 2012

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Using swarm intelligence for finding transition states and reaction paths.
René Fournier, Satya Bulusu, Stephen Chen, Jamie Tung

J Chem Phys· September 2011

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CO chemisorption on the surfaces of the golden cages.
Wei Huang, Satya Bulusu, Rhitankar Pal, Xiao Cheng Zeng, Lai-Sheng Wang

J Chem Phys· December 2009

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Structural transition of gold nanoclusters: from the golden cage to the golden pyramid.
Wei Huang, Satya Bulusu, Rhitankar Pal, Xiao Cheng Zeng, Lai-Sheng Wang

ACS Nano· May 2009

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Search for lowest-energy structure of Zintl dianion Si(12)(2-), Ge(12)(2-), and Sn(12)(2-).
Nan Shao, Satya Bulusu, X C Zeng

J Chem Phys· April 2008

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Ab initio calculation of carbon clusters. II. Relative stabilities of fullerene and nonfullerene C24.
Wei An, Nan Shao, Satya Bulusu, X C Zeng

J Chem Phys· February 2008

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Doping the golden cage Au16(-) with Si, Ge, and Sn.
Lei-Ming Wang, Satya Bulusu, Wei Huang, Rhitankar Pal, Lai-Sheng Wang

J Am Chem Soc· December 2007

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Doping golden buckyballs:Cu@Au16- and Cu@Au17- cluster anions.
Lei-Ming Wang, Satya Bulusu, Hua-Jin Zhai, Xiao-Cheng Zeng, Lai-Sheng Wang

Angew Chem Int Ed Engl· June 2007

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A global search of highly stable gold-covered bimetallic clusters M@Au(n) (n=8-17): endohedral gold clusters.
Yi Gao, Satya Bulusu, Xiao Cheng Zeng

Chemphyschem· November 2006

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Lowest-energy structures of water clusters (H2O)11 and (H2O)13.
Satya Bulusu, Soohaeng Yoo, Edo Aprà, Sotiris Xantheas, Xiao Cheng Zeng

J Phys Chem A· October 2006

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Structures and relative stability of neutral gold clusters: Aun (n=15-19).
Satya Bulusu, X C Zeng

J Chem Phys· October 2006

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Evidence of hollow golden cages.
Satya Bulusu, Xi Li, Lai-Sheng Wang, Xiao Cheng Zeng

Proc Natl Acad Sci U S A· May 2006

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Relative stability of planar versus double-ring tubular isomers of neutral and anionic boron cluster B20 and B20-.
Wei An, Satya Bulusu, Yi Gao, X C Zeng

J Chem Phys· April 2006

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Gold-caged metal clusters with large HOMO-LUMO gap and high electron affinity.
Yi Gao, Satya Bulusu, Xiao Cheng Zeng

J Am Chem Soc· November 2005

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Ab initio calculation of bowl, cage, and ring isomers of C20 and C20-.
Wei An, Yi Gao, Satya Bulusu, X C Zeng

J Chem Phys· May 2005

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