Accesso pubblico

The joint automated repository for various integrated simulations (JARVIS) for data-driven materials design

K Choudhary, KF Garrity, ACE Reid, B DeCost, AJ Biacchi, ...

npj computational materials 6 (1), 173, 2020

Mandati: US National Science Foundation, US Department of Energy

[PDF] arxiv.org

Strong Pressure Dependent Electron-Phonon Coupling in FeSe

S Mandal, RE Cohen, K Haule

Phys. Rev. B Rapid Communications 89, 220502(R), 2014

Mandati: European Commission

Systematic beyond-DFT study of binary transition metal oxides

S Mandal, K Haule, KM Rabe, D Vanderbilt

npj Comput Mater 5, 115, 2019

Mandati: US National Science Foundation

How Correlated is the FeSe/SrTiO3 System ?

S Mandal, P Zhang, S Ismail-Beigi, K Haule

Physical Review Letters 119, 067004, 2017

Mandati: US National Science Foundation, US Department of Energy, National Natural …

Role of double TiO2 layers at the interface of FeSe/SrTiO3 superconductors

Z Ke, M Subhasish, A Stephen D., P Rui, P Yujia, K Divine, L Claudia, ...

Physical Review B Rapid Communication 93, 180506(R), 2016

Mandati: US National Science Foundation, US Department of Energy, National Natural …

Pressure suppression of electron correlation in the collapsed tetragonal phase of CaFe 2 As 2: A DFT-DMFT investigation

S Mandal, RE Cohen, K Haule

Physical Review B Rapid Communications 90 (6), 060501, 2014

Mandati: European Commission

[HTML] pnas.org

Neuromorphic learning with Mott insulator NiO

Z Zhang, S Mondal, S Mandal, JM Allred, NA Aghamiri, A Fali, Z Zhang, ...

Proceedings of the National Academy of Sciences 118 (39), e2017239118, 2021

Mandati: US National Science Foundation, US Department of Energy, US Department of …

Influence of magnetic ordering on the spectral properties of binary transition metal oxides

S Mandal, K Haule, KM Rabe, D Vanderbilt

Phys. Rev. B 100, 245109, 2019

Mandati: US National Science Foundation

[PDF] academia.edu

Openatom: Scalable ab-initio molecular dynamics with diverse capabilities

N Jain, E Bohm, E Mikida, S Mandal, M Kim, P Jindal, Q Li, S Ismail-Beigi, ...

High Performance Computing: 31st International Conference, ISC High …, 2016

Mandati: US National Science Foundation, US Department of Energy

Electronic correlation in nearly free electron metals with beyond-DFT methods

S Mandal, K Haule, KM Rabe, D Vanderbilt

npj Computational Materials 8, 181, 2022

Mandati: US National Science Foundation

[HTML] aip.org

Revealing surface-state transport in ultrathin topological crystalline insulator SnTe films

CHA Ke Zou , Stephen D. Albright, Omur E. Dagdeviren, M. D. Morales-Acosta ...

APL Materials 7, 051106, 2019

Mandati: US National Science Foundation, US Department of Defense

Valence and Spin fluctuations in Mn-doped ferroelectric BaTiO3

S Mandal, RE Cohen, K Haule

Phys. Rev. B 98, 075155 98, 075155, 2018

Mandati: US National Science Foundation, US Department of Energy, US Department of …

[PDF] sciencedirect.com

Scalable GW software for quasiparticle properties using OpenAtom

M Kim, S Mandal, E Mikida, K Chandrasekar, E Bohm, N Jain, Q Li, ...

Computer Physics Communications 244, 427-441, 2019

Mandati: US National Science Foundation, US Department of Energy

DFT-aided machine learning-based discovery of magnetism in Fe-based bimetallic chalcogenides

D Pant, S Pokharel, S Mandal, DB Kc, R Pati

Scientific Reports 13 (1), 3277, 2023

Mandati: US National Science Foundation

Suppression of the spectral weight of topological surface states on the nanoscale via local symmetry breaking

EIA Omur E. Dagdeviren, Subhasish Mandal, Ke Zou, Chao Zhou, Georg H. Simon ...

Phys. Rev. Materials 2, 114205, 2018

Mandati: US National Science Foundation

[HTML] nature.com