Rahul Kumar Padhy

Pramod Thombre, Rahul Kumar Padhy, Roshan M. D'Souza et al.

Computed Tomography Angiography (CTA) is widely used to reconstruct vascular geometry from projection measurements, with conventional approaches such as Filtered Back-Projection (FBP) and Iterative Reconstruction (IR) forming the clinical standard. Blood flow is subsequently estimated through Computational Fluid Dynamics (CFD) simulations, which require vascular geometry and boundary conditions to be specified a priori. Since the geometry is fixed prior to flow estimation, the recovery of unknown anatomical features (e.g., missing branches or stenoses) is precluded. In this work, we present a fluid-physics-constrained reconstruction framework that leverages topology optimization (TO) to jointly recover vascular geometry and blood velocity directly from time-resolved CTA sinograms. The formulation couples a steady incompressible flow model with a transient advection-diffusion contrast transport model, mapped to sinogram space through a differentiable projection operator. The recovered velocity fields provide hemodynamic information and can support downstream estimation of wall shear stress and flow distribution, without requiring a separate CFD pipeline. The proposed method is demonstrated on synthetic phantoms under varying sparsity and noise levels, and on representative projection data.

Rahul Kumar Padhy, Aaditya Chandrasekhar, Amir M. Mirzendehdel

Polypills are single oral dosage forms that combine multiple active pharmaceutical ingredients and excipients, enabling fixed-dose combination therapies, coordinated multi-phase release, and precise customization of patient-specific treatment protocols. Recent advances in additive manufacturing facilitate the physical realization of multi-material excipients, offering superior customization of target release profiles. However, polypill formulations remain tuned by ad hoc parameter sweeps. The current design workflows are ill-suited for the systematic exploration of the high-dimensional space of shapes, compositions, and release behaviors. We present PILL-CoDe, a polypill co-design framework that simultaneously optimizes tablet geometry and excipient distribution to match prescribed drug-release kinetics. The framework couples a supershape parametrization of the pill geometry with a coordinate-based neural network representation of the excipient distribution, and governs dissolution through a coupled system of modified Allen-Cahn and Fickian diffusion equations. Implemented in JAX, the entire pipeline is end-to-end differentiable, with automatic differentiation providing exact sensitivities for gradient-based co-optimization of shape and composition under manufacturability constraints. We demonstrate the method through single-phase and multi-excipient case studies, showing accurate matching of both monotonic and non-monotonic target release profiles.

Rahul Kumar Padhy, Aaditya Chandrasekhar, Krishnan Suresh

The Finite element method (FEM) has long served as the computational backbone for topology optimization (TO). However, for designing structures undergoing large deformations, conventional FEM-based TO often exhibits numerical instabilities due to severe mesh distortions, tangling, and large rotations, consequently leading to convergence failures. To address this challenge, we present a TO framework based on the Material Point Method (MPM). MPM is a hybrid Lagrangian-Eulerian particle method, well-suited for simulating large deformations. In particular, we present an end-to-end differentiable implicit MPM framework for designing structures undergoing quasi-static hyperelastic large deformations. The effectiveness of the approach is demonstrated through validation studies encompassing both single and multi-material designs, including the design of compliant soft robotic grippers. The software accompanying this paper can be accessed at github.com/UW-ERSL/MOTO.

Rahul Kumar Padhy, Aaditya Chandrasekhar, Krishnan Suresh

Fluid-flow devices with low dissipation, but high contact area, are of importance in many applications. A well-known strategy to design such devices is multi-scale topology optimization (MTO), where optimal microstructures are designed within each cell of a discretized domain. Unfortunately, MTO is computationally very expensive since one must perform homogenization of the evolving microstructures, during each step of the homogenization process. As an alternate, we propose here a graded multiscale topology optimization (GMTO) for designing fluid-flow devices. In the proposed method, several pre-selected but size-parameterized and orientable microstructures are used to fill the domain optimally. GMTO significantly reduces the computation while retaining many of the benefits of MTO. In particular, GMTO is implemented here using a neural-network (NN) since: (1) homogenization can be performed off-line, and used by the NN during optimization, (2) it enables continuous switching between microstructures during optimization, (3) the number of design variables and computational effort is independent of number of microstructure used, and, (4) it supports automatic differentiation, thereby eliminating manual sensitivity analysis. Several numerical results are presented to illustrate the proposed framework.