5 papers
Bandgap optimization in combinatorial graphs with tailored ground states: Application in Quantum annealing
Siddhartha Srivastava, Veera Sundararaghavan
A mixed-integer linear programming (MILP) formulation is presented for parameter estimation of the Potts model. Two algorithms are developed; the first method estimates the paramet…
Understanding defect structures in metal additive manufacturing via molecular dynamics
Gurmeet Singh, Anthony M. Waas, Veera Sundararaghavan
Additive manufacturing of a single crystalline metallic column is studied using molecular dynamics simulations. In the model, a melt pool is incrementally added and cooled to a tar…
Modeling Self-Healing Behavior of Vitrimers using Molecular Dynamics with Dynamic Cross-Linking Capability
Gurmeet Singh, Veera Sundararaghavan
Vitrimers are a special class of polymers that undergo dynamic cross-linking under thermal stimuli. Their ability to exchange covalent bonds can be harnessed to mitigate damage in…
Database development and exploration of microstructure versus process relationships using variational autoencoders
Srihari Sundar, Veera Sundararaghavan
The paper demonstrates the use of variational autoencoders for graphical representation of a large database containing process-microstructure relationships. Correlating microstruct…
Box algorithm for the solution of differential equations on a quantum annealer
Siddhartha Srivastava, Veera Sundararaghavan
Differential equations are ubiquitous in models of physical phenomena. Applications like steady-state analysis of heat flow and deflection in elastic bars often admit to a second o…