Can we construct a seamless-mutiscale approach that has quantum mechanical resolution at defect core and is sensitive to long range continuum stresses in materials?
What is the effect of cell-size on the energetics of defects? What is the role of macroscopic deformations on the defect-cores? How do stable prismatic dislocation loops form in metals?
Can ghost forces be removed from the Quasi-Continuum Method?
How can large leads be handled in the Non Equilibrium Greens Function (NEGF) formalism of Quantum Transport System?