Publications

GPU-Enhanced DFTB Metadynamics for Efficiently Predicting Free Energies of Biochemical Systems

Anshuman Kumar, Pablo R. Arantes, Aakash Saha, Giulia Palermo, Bryan M. Wong

Efficient Predictions of Formation Energies and Convex Hulls from Density Functional Tight Binding Calculations

Anshuman Kumar, Zulfikhar Ali, Bryan M. Wong

Harnessing Deep Neural Networks to Solve Inverse Problems in Quantum Dynamics: Machine-Learned Predictions of Time-Dependent Optimal Control Fields

Anshuman Kumar, Xian Wang, Bryan M. Wong