4 papers
Directional strain control of magnetism in MnBiSe, MnSbSe, and MnSbTe freestanding monolayers
Swarnava Ghosh, Tanvir Sohail, Markus Eisenbach
MnBiSe, MnSbSe, and MnSbTe are layered magnetic quantum materials of interest for spintronic and topological electronic applications, where control of magnet…
Permutation invariant neural network prediction of vacancy formation under deformation and varying chemical environment in FCC high entropy alloys
Tanvir Sohail, Swarnava Ghosh
Vacancy formation energies govern diffusion, irradiation damage, phase stability, and dynamic failure in high-entropy alloys (HEAs), yet their strong dependence on local chemical e…
Neural operator accelerated atomistic to continuum concurrent multiscale simulations of viscoelasticity
Tanvir Sohail, Burigede Liu, Swarnava Ghosh
We present a neural-operator-accelerated concurrent multiscale framework that couples atomistic simulations with continuum finite-element analysis for history-dependent materials,…
Quantum solver for single-impurity Anderson models with particle-hole symmetry
Mariia Karabin, Tanvir Sohail, Dmytro Bykov +8
Quantum embedding methods, such as dynamical mean-field theory (DMFT), provide a powerful framework for investigating strongly correlated materials. A central computational bottlen…