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Debajit Chakraborty
Debajit Chakraborty
Research Assistant Professor at Temple University
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Cited by
Cited by
Year
Nonempirical generalized gradient approximation free-energy functional for orbital-free simulations
VV Karasiev, D Chakraborty, OA Shukruto, SB Trickey
Physical Review B 88 (16), 161108, 2013
1302013
Entropy contributions to phase stability in binary random solid solutions
A Manzoor, S Pandey, D Chakraborty, SR Phillpot, DS Aidhy
npj Computational Materials 4 (1), 47, 2018
842018
Next-generation nonlocal van der Waals density functional
D Chakraborty, K Berland, T Thonhauser
Journal of Chemical Theory and Computation 16 (9), 5893-5911, 2020
742020
Many-Electron Approaches in Physics, Chemistry and Mathematics
VV Karasiev, D Chakraborty, SB Trickey
Mathematical Physics Studies, 113-134, 2014
582014
Relationships between the third-order reactivity indicators in chemical density-functional theory
C Cárdenas, E Echegaray, D Chakraborty, JSM Anderson, PW Ayers
The Journal of chemical physics 130 (24), 2009
462009
Progress on new approaches to old ideas: Orbital-free density functionals
VV Karasiev, D Chakraborty, SB Trickey
Many-electron approaches in physics, chemistry and mathematics: a …, 2014
432014
Symmetric nonlocal weighted density approximations from the exchange-correlation hole of the uniform electron gas
R Cuevas-Saavedra, D Chakraborty, S Rabi, C Cárdenas, PW Ayers
Journal of Chemical Theory and Computation 8 (11), 4081-4093, 2012
412012
Cr-induced fast vacancy cluster formation and high Ni diffusion in concentrated Ni-Fe-Cr alloys
D Chakraborty, DS Aidhy
Journal of Alloys and Compounds 725, 449-460, 2017
312017
Improved analytical representation of combinations of Fermi–Dirac integrals for finite-temperature density functional calculations
VV Karasiev, D Chakraborty, SB Trickey
Computer Physics Communications 192, 114-123, 2015
242015
Failure of the Weizsäcker kinetic energy functional for one-, two-, and three-electron distribution functions
D Chakraborty, PW Ayers
Journal of mathematical chemistry 49, 1810-1821, 2011
242011
van der Waals density functional with corrected coefficients
K Berland, D Chakraborty, T Thonhauser
Physical Review B 99 (19), 195418, 2019
182019
Comment on “Single-point kinetic energy density functionals: A pointwise kinetic energy density analysis and numerical convergence investigation”
SB Trickey, VV Karasiev, D Chakraborty
Physical Review B 92 (11), 117101, 2015
162015
Symmetric two-point weighted density approximation for exchange energies
R Cuevas-Saavedra, D Chakraborty, PW Ayers
Physical Review A 85 (4), 042519, 2012
162012
Innovations in finite-temperature density functionals
VV Karasiev, T Sjostrom, D Chakraborty, JW Dufty, K Runge, FE Harris, ...
Frontiers and Challenges in Warm Dense Matter, 61-85, 2014
152014
Classical interatomic potential for quaternary Ni–Fe–Cr–Pd solid solution alloys
G Bonny, D Chakraborty, S Pandey, A Manzoor, N Castin, SR Phillpot, ...
Modelling and Simulation in Materials Science and Engineering 26 (6), 065014, 2018
142018
Frontiers and Challenges in Warm Dense Matter
V Karasiev, T Sjostrom, D Chakraborty, JW Dufty, FE Harris, K Runge, ...
Springer, 2014
132014
Understanding chemical binding using the Berlin function and the reaction force
D Chakraborty, C Cárdenas, E Echegaray, A Toro-Labbe, PW Ayers
Chemical Physics Letters 539, 168-171, 2012
132012
Effect of atomic order/disorder on vacancy clustering in concentrated NiFe alloys
D Chakraborty, A Harms, MW Ullah, WJ Weber, DS Aidhy
Computational Materials Science 147, 194-203, 2018
102018
Two-point weighted density approximations for the kinetic energy density functional
D Chakraborty, R Cuevas-Saavedra, PW Ayers
Theoretical Chemistry Accounts 136, 1-12, 2017
92017
A variational principle for the electron density using the exchange hole & its implications for N-representability
PW Ayers, R Cuevas-Saavedra, D Chakraborty
Physics Letters A 376 (6-7), 839-844, 2012
72012
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Articles 1–20