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Machine-Learning Interatomic Potentials (MLIPs) have surged in popularity due to their promise of expanding the spatiotemporal scales possible for simulating molecules with high fidelity. The accuracy of any MLIP is dependent on the data…
Biological hydrogels have been increasingly sought after as e.g. wound dressings or scaffolds for regenerative medicine, due to their inherent biofunctionality in biological environments. Especially in moist wound healing, the ideal…
Ultrasound-vaporizable microdroplets can be exploited for targeted drug delivery. However, it requires customized microfluidic techniques able to produce monodisperse, capillary-sized and biocompatible multiple emulsions. Recent development…
Generating molecular graphs is crucial in drug design and discovery but remains challenging due to the complex interdependencies between nodes and edges. While diffusion models have demonstrated their potentiality in molecular graph design,…
Electric machine design optimization is a computationally expensive multi-objective optimization problem. While the objectives require time-consuming finite element analysis, optimization constraints can often be based on mathematical…
Determining a process-structure-property relationship is the holy grail of materials science, where both computational prediction in the forward direction and materials design in the inverse direction are essential. Problems in materials…
High-precision micromanipulation techniques, including optical tweezers and hydrodynamic trapping, have garnered wide-spread interest. Recent advances in optofluidic multiplexed assembly and microrobotics demonstrate significant progress,…
This study investigates the hydrodynamics of droplet formation in a T-shaped cylindrical microfluidic device using micro-PIV experiments and CFD simulations. Devices of 150 micro-m internal diameter were fabricated from PDMS via a…
Interpenetrated Polymer Network (IPN) microgels of PNIPAM and PAAc have been investigated and the experimental data have been compared with theoretical models from the Flory-Rehner theory. We confirm that the swelling behavior of PNIPAM…
Water scarcity and the low quality of wastewater produced in industrial applications present significant challenges, particularly in managing fresh water intake and reusing residual quantities. These issues affect various industries,…
On-chip coherent laser sources are crucial for the future of photonic integrated circuits, yet progress has been hindered by the complex interplay between material quality, device geometry, and performance metrics. We combine…
Optimal experimental designs are probability measures with finite support enjoying an optimality property for the computation of least squares estimators. We present an algorithm for computing optimal designs on finite sets based on the…
Soft particles such as microgels and core-shell particles can undergo significant and anisotropic deformations when adsorbed to a liquid interface. This, in turn, leads to a complex phase behavior upon compression. Here we develop a…
In applications such as molecule design or drug discovery, it is desirable to have an algorithm which recommends new candidate molecules based on the results of past tests. These molecules first need to be synthesized and then tested for…
Most approaches for designing self-assembled materials focus on the thermodynamic stability of a target structure or crystal polymorph. Yet in practice, the outcome of a self-assembly process is often controlled by kinetic pathways. Here we…
Microplastic particle ingestion or inhalation by humans is a problem of growing concern. Unfortunately, current research methods that use machine learning to understand their potential harms are obstructed by a lack of available data. Deep…
The rational design of novel polymers with tailored material properties has been a long-standing challenge in the field due to the large number of possible polymer design variables. To accelerate this design process, there is a critical…
This paper considers a collection of networked nonlinear dynamical systems, and addresses the synthesis of feedback controllers that seek optimal operating points corresponding to the solution of network-wide constrained optimization…
With heterogeneous systems, the number of GPUs per chip increases to provide computational capabilities for solving science at a nanoscopic scale. However, low utilization for single GPUs defies the need to invest more money for expensive…
Given a flow network with variable suppliers and fixed consumers, the minimax flow problem consists in minimizing the maximum flow between nodes, subject to flow conservation and capacity constraints. We solve this problem over acyclic…