Sambit Das
University of Michigan
H-index: 8
North America-United States
Top articles of Sambit Das
Real-space finite-element-based methodologies for large-scale ab initio calculations using Projected Augmented Wave (PAW) formalism in density functional theory
Bulletin of the American Physical Society
2024/3/4
Sambit Das
H-Index: 6
Towards Large-scale Quantum Accuracy Materials Simulations
Bulletin of the American Physical Society
2024/3/4
Tucker tensor approach for accelerating exchange computations in a real-space finite-element discretization of generalized Kohn-Sham density functional theory
arXiv preprint arXiv:2401.04189
2024/1/8
Sambit Das
H-Index: 6
Vikram Gavini
H-Index: 17
Large-scale materials modeling at quantum accuracy: Ab initio simulations of quasicrystals and interacting extended defects in metallic alloys
2023/11/12
Roadmap on electronic structure codes in the exascale era
Modelling and Simulation in Materials Science and Engineering
2023/8/7
Vikram Gavini
H-Index: 17
Stefano Baroni
H-Index: 37
Volker Blum
H-Index: 36
Sambit Das
H-Index: 6
Pietro Delugas
H-Index: 20
Mehmet Dogan
H-Index: 27
Claudia Draxl
H-Index: 41
Giulia Galli
H-Index: 13
Paolo Giannozzi
H-Index: 24
Matteo Giantomassi
H-Index: 16
Xavier Gonze
H-Index: 46
Marco Govoni
H-Index: 3
Andris Gulans
H-Index: 15
Tsuyoshi Miyazaki
H-Index: 15
Christian Plessl
H-Index: 14
Laura E Ratcliff
H-Index: 14
Mariana Rossi
H-Index: 3
Phanish Suryanarayana
H-Index: 19
Lionel Truflandier
H-Index: 12
Effect of hydrogen on plasticity of α-Fe: A multi-scale assessment
International Journal of Plasticity
2023/6/1
Accelerating self-consistent field iterations in Kohn-Sham density functional theory using a low-rank approximation of the dielectric matrix
Physical Review B
2023/3/16
Sambit Das
H-Index: 6
Vikram Gavini
H-Index: 17
Bridging scales with Machine Learning: From first principles statistical mechanics to continuum phase field computations to study order disorder transitions in LixCoO2
arXiv preprint arXiv:2302.08991
2023/2/17
Atomistic Simulations and Machine Learning of Solute Grain Boundary Segregation in Mg Alloys at Finite Temperatures
Acta Materialia
2023/11/15
Sambit Das
H-Index: 6
Vikram Gavini
H-Index: 17
Tensor-based approach to accelerate exact exchange calculations in DFT
APS March Meeting Abstracts
2023
Sambit Das
H-Index: 6
Vikram Gavini
H-Index: 17
Direct DFT calculation from nanoscale to bulk stability of icosahedral quasicrystal
APS March Meeting Abstracts
2023
Modulating the microscopic lattice distortions through the Al-rich layers for boosting the ferroelectricity in Al: HfO2 nanofilms
Journal of Physics D: Applied Physics
2022/9/15
DFT-FE 1.0: A massively parallel hybrid CPU-GPU density functional theory code using finite-element discretization
Computer Physics Communications
2022/11/1
LiCoO phase stability studied by machine learning-enabled scale bridging between electronic structure, statistical mechanics and phase field theories
arXiv preprint arXiv:2104.08318
2021/4/16
DFT-FE–A massively parallel adaptive finite-element code for large-scale density functional theory calculations
Computer Physics Communications
2020/1/1
Origins of the transformability of Nickel-Titanium shape memory alloys
Physical Review Materials
2020/10/26
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