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Attila Cangi
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Semiclassical origins of density functionals
P Elliott, D Lee, A Cangi, K Burke
Physical review letters 100 (25), 256406, 2008
1192008
Deep dive into machine learning density functional theory for materials science and chemistry
L Fiedler, K Shah, M Bussmann, A Cangi
Physical Review Materials 6 (4), 040301, 2022
782022
Effective static approximation: A fast and reliable tool for warm-dense matter theory
T Dornheim, A Cangi, K Ramakrishna, M Böhme, S Tanaka, J Vorberger
Physical Review Letters 125 (23), 235001, 2020
722020
Accelerating finite-temperature Kohn-Sham density functional theory with deep neural networks
JA Ellis, L Fiedler, GA Popoola, NA Modine, JA Stephens, AP Thompson, ...
Physical Review B 104 (3), 035120, 2021
702021
Electronic density response of warm dense matter
T Dornheim, ZA Moldabekov, K Ramakrishna, P Tolias, AD Baczewski, ...
Physics of Plasmas 30 (3), 2023
592023
Electronic structure via potential functional approximations
A Cangi, D Lee, P Elliott, K Burke, EKU Gross
Physical Review Letters 106 (23), 236404, 2011
532011
Leading corrections to local approximations
A Cangi, D Lee, P Elliott, K Burke
Physical Review B—Condensed Matter and Materials Physics 81 (23), 235128, 2010
482010
First-principles modeling of plasmons in aluminum under ambient and extreme conditions
K Ramakrishna, A Cangi, T Dornheim, A Baczewski, J Vorberger
Physical Review B 103 (12), 125118, 2021
442021
A shallow hybrid classical–quantum spiking feedforward neural network for noise-robust image classification
D Konar, AD Sarma, S Bhandary, S Bhattacharyya, A Cangi, V Aggarwal
Applied soft computing 136, 110099, 2023
422023
Reduced-density-matrix-functional theory at finite temperature: Theoretical foundations
T Baldsiefen, A Cangi, EKU Gross
Physical Review A 92 (5), 052514, 2015
412015
The relevance of electronic perturbations in the warm dense electron gas
Z Moldabekov, T Dornheim, M Böhme, J Vorberger, A Cangi
The Journal of Chemical Physics 155 (12), 2021
382021
Corrections to Thomas-Fermi densities at turning points and beyond
RF Ribeiro, D Lee, A Cangi, P Elliott, K Burke
Physical Review Letters 114 (5), 050401, 2015
382015
Predicting electronic structures at any length scale with machine learning
L Fiedler, NA Modine, S Schmerler, DJ Vogel, GA Popoola, AP Thompson, ...
npj Computational Materials 9 (1), 115, 2023
352023
Data-driven magneto-elastic predictions with scalable classical spin-lattice dynamics
S Nikolov, MA Wood, A Cangi, JB Maillet, MC Marinica, AP Thompson, ...
npj Computational Materials 7 (1), 153, 2021
352021
Benchmarking exchange-correlation functionals in the spin-polarized inhomogeneous electron gas under warm dense conditions
Z Moldabekov, T Dornheim, J Vorberger, A Cangi
Physical Review B 105 (3), 035134, 2022
342022
Potential functionals versus density functionals
A Cangi, EKU Gross, K Burke
Physical Review A—Atomic, Molecular, and Optical Physics 88 (6), 062505, 2013
332013
Effective electronic forces and potentials from ab initio path integral Monte Carlo simulations
T Dornheim, P Tolias, ZA Moldabekov, A Cangi, J Vorberger
The Journal of Chemical Physics 156 (24), 2022
302022
Imaginary-time correlation function thermometry: A new, high-accuracy and model-free temperature analysis technique for x-ray Thomson scattering data
T Dornheim, MP Böhme, DA Chapman, D Kraus, TR Preston, ...
Physics of Plasmas 30 (4), 2023
262023
Non-empirical mixing coefficient for hybrid XC functionals from analysis of the XC kernel
ZA Moldabekov, M Lokamani, J Vorberger, A Cangi, T Dornheim
The Journal of Physical Chemistry Letters 14 (5), 1326-1333, 2023
232023
Accelerating equilibration in first-principles molecular dynamics with orbital-free density functional theory
L Fiedler, ZA Moldabekov, X Shao, K Jiang, T Dornheim, M Pavanello, ...
Physical Review Research 4 (4), 043033, 2022
222022
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