88 citations · 181 across the 12 of their papers we have counts for
12 papers
Machine-learning semi-local exchange-correlation functionals for Kohn-Sham density functional theory of the Hubbard model
Eoghan Cronin, Rajarshi Tiwari, Stefano Sanvito
The Hubbard model provides a test bed to investigate the complex behaviour arising from electron-electron interaction in strongly-correlated systems and naturally emerges as the fo…
A computational method to estimate spin-orbital interaction strength in solid state systems
Qiangqiang Gu, Shishir Kumar Pandey
Spin-orbit coupling (SOC) drives interesting and non-trivial phenomena in solid state physics, ranging from topological to magnetic to transport properties. Thorough study of such…
Emergence of bond-dependent highly anisotropic magnetic interactions in SrRhO: a theoretical study
Shishir Kumar Pandey, Qiangqiang Gu, Yihao Lin +2
The quantum spin liquid states as a natural ground state of the Kitaev model has led to a quest for new materials candidates hosting Kitaev physics. Yet, there are very few materia…
Machine-learning semi-local density functional theory for many-body lattice models at zero and finite temperature
James Nelson, Rajarshi Tiwari, Stefano Sanvito
We introduce a machine-learning density-functional-theory formalism for the spinless Hubbard model in one dimension at both zero and finite temperature. In the zero-temperature cas…
Reactivity of transition-metal alloys to oxygen and sulphur
Rajarshi Tiwari, James Nelson, Chen Xu +1
Oxidation and tarnishing are the two most common initial steps in the corrosive process of metals at ambient conditions. These are always initiated with O and S binding to a metall…
Machine learning density functional theory for the Hubbard model
James Nelson, Rajarshi Tiwari, Stefano Sanvito
The solution of complex many-body lattice models can often be found by defining an energy functional of the relevant density of the problem. For instance, in the case of the Hubbar…