Vikram Gavini
Title
Cited by
Cited by
Year
Effect of length and contact chemistry on the electronic structure and thermoelectric properties of molecular junctions
A Tan, J Balachandran, S Sadat, V Gavini, BD Dunietz, SY Jang, P Reddy
Journal of the American Chemical Society 133 (23), 8838-8841, 2011
1512011
Quasi-continuum orbital-free density-functional theory: A route to multi-million atom non-periodic DFT calculation
V Gavini, K Bhattacharya, M Ortiz
Journal of the Mechanics and Physics of Solids 55 (4), 697-718, 2007
1492007
Higher-order adaptive finite-element methods for Kohn–Sham density functional theory
P Motamarri, MR Nowak, K Leiter, J Knap, V Gavini
Journal of Computational Physics 253, 308-343, 2013
1242013
Non-periodic finite-element formulation of Kohn–Sham density functional theory
P Suryanarayana, V Gavini, T Blesgen, K Bhattacharya, M Ortiz
Journal of the Mechanics and Physics of Solids 58 (2), 256-280, 2010
1182010
Modelling and analysis of abrasive water jet cut surface topography
G Vikram, NR Babu
International Journal of Machine Tools and Manufacture 42 (12), 1345-1354, 2002
872002
Non-periodic finite-element formulation of orbital-free density functional theory
V Gavini, J Knap, K Bhattacharya, M Ortiz
Journal of the Mechanics and Physics of Solids 55 (4), 669-696, 2007
862007
Vacancy clustering and prismatic dislocation loop formation in aluminum
V Gavini, K Bhattacharya, M Ortiz
Physical Review B 76 (18), 180101, 2007
592007
End-Group Induced Charge Transfer in Molecular Junctions: Effect on Electronic-Structure and Thermopower
J Balachandran, P Reddy, BD Dunietz, V Gavini
The Journal of Physical Chemistry Letters, 2012
582012
Length dependence of frontier orbital alignment in aromatic molecular junctions
A Tan, J Balachandran, BD Dunietz, SY Jang, V Gavini, P Reddy
Applied Physics Letters 101 (24), 243107, 2012
472012
DFT-FE–A massively parallel adaptive finite-element code for large-scale density functional theory calculations
P Motamarri, S Das, S Rudraraju, K Ghosh, D Davydov, V Gavini
Computer Physics Communications 246, 106853, 2020
392020
A field theoretical approach to the quasi-continuum method
M Iyer, V Gavini
Journal of the Mechanics and Physics of Solids 59 (8), 1506-1535, 2011
382011
Subquadratic-scaling subspace projection method for large-scale Kohn-Sham density functional theory calculations using spectral finite-element discretization
P Motamarri, V Gavini
Physical Review B 90 (11), 115127, 2014
352014
Determining plasmonic hot-carrier energy distributions via single-molecule transport measurements
H Reddy, K Wang, Z Kudyshev, L Zhu, S Yan, A Vezzoli, SJ Higgins, ...
Science 369 (6502), 423-426, 2020
342020
Exact exchange-correlation potentials from ground-state electron densities
B Kanungo, PM Zimmerman, V Gavini
Nature Communications 10, 4497, 2019
342019
Effect of cell size on the energetics of vacancies in aluminum studied via orbital-free density functional theory
B Radhakrishnan, V Gavini
Physical Review B 82 (9), 094117, 2010
332010
Role of macroscopic deformations in energetics of vacancies in aluminum
V Gavini
Physical review letters 101 (20), 205503, 2008
322008
Large-scale all-electron density functional theory calculations using an enriched finite-element basis
B Kanungo, V Gavini
Physical Review B 95 (3), 035112, 2017
312017
PRISMS: An Integrated, Open-Source Framework for Accelerating Predictive Structural Materials Science
LK Aagesen, JF Adams, JE Allison, WB Andrews, V Araullo-Peters, ...
JOM, 1-17, 2018
302018
Electronic-structure study of an edge dislocation in aluminum and the role of macroscopic deformations on its energetics
M Iyer, B Radhakrishnan, V Gavini
Journal of the Mechanics and Physics of Solids 76, 260-275, 2015
272015
Energetics and nucleation of point defects in aluminum under extreme tensile hydrostatic stresses
M Iyer, V Gavini, TM Pollock
Physical Review B 89 (1), 014108, 2014
262014
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Articles 1–20