Fabrication strategies for chiral self-assembly surface

X Niu, M Yuan, R Zhao, L Wang, Y Liu, H Zhao, H Li… - Microchimica Acta, 2024 - Springer
Chiral self-assembly is the spontaneous organization of individual building blocks from
chiral (bio) molecules to macroscopic objects into ordered superstructures. Chiral self …

Computing subgradients of convex relaxations for solutions of parametric ordinary differential equations

Y Song, KA Khan - Optimization Methods and Software, 2024 - Taylor & Francis
A novel subgradient evaluation method is proposed for nonsmooth convex relaxations of
parametric solutions of ordinary differential equations (ODEs) arising in global dynamic …

Evaluating subgradients for convex relaxations of dynamic process models by adapting current tools

Y Zhang, KA Khan - Computers & Chemical Engineering, 2024 - Elsevier
Global dynamic optimization problems are often represented as nonlinear optimization
problems with embedded parametric ordinary differential equations. Deterministic methods …

[HTML][HTML] Automatic differentiation rules for Tsoukalas–Mitsos convex relaxations in global process optimization

Y Yuan, KA Khan - Digital Chemical Engineering, 2023 - Elsevier
With increasing digitalization and vertical integration of chemical process systems,
nonconvex optimization problems often emerge in chemical engineering applications, yet …

[PDF][PDF] Implementing adjoint subgradient evaluation for use in global dynamic optimization

Y Zhang, KA Khan - Proceedings of FOCAPO/CPC 2023, 2023 - folk.ntnu.no
Global dynamic optimization problems emerge in several engineering applications, such as
global optimal control, parameter estimation, and safety verification. Such problems are …

Data‐driven approximation of thermodynamic phase equilibria

A Iftakher, CM Aras, MS Monjur, MMF Hasan - AIChE Journal, 2022 - Wiley Online Library
We present a new data‐driven approach for both accurate and computationally efficient
approximation of vapor liquid equilibria (VLE) models. Our method is able to provide …

Automatic source code generation for deterministic global optimization with parallel architectures

RX Gottlieb, P Xu, MD Stuber - Optimization Methods and Software, 2024 - Taylor & Francis
Trends over the past two decades indicate that much of the performance gains of
commercial optimization solvers is due to improvements in x86 hardware. To continue …

Modification and improved implementation of the RPD method for computing state relaxations for global dynamic optimization

J Ye, JK Scott - Journal of Global Optimization, 2024 - Springer
This paper presents an improved method for computing convex and concave relaxations of
the parametric solutions of ordinary differential equations (ODEs). These are called state …

General convex relaxations of implicit functions and inverse functions

H Cao, KA Khan - Journal of Global Optimization, 2023 - Springer
Convex relaxations of nonconvex functions provide useful bounding information in
applications such as deterministic global optimization and reachability analysis. In some …

Applying Sampling-Based Convex Relaxations to Dynamic Process Models

HC Chui, KA Khan - IFAC-PapersOnLine, 2024 - Elsevier
Convex relaxations are a crucial tool in methods for global optimization, but are challenging
to construct for dynamic processes. In this article, we investigate combining two recent …