Modern mesh generation addresses the development of robust algorithms that construct a discrete representation of the geometry into polytopal elements conforming to divergent properties: (i) fidelity to complex geometrical features, (ii) support for high s ...
Nanoporous single-layer graphene is promising as an ideal membrane because of its extreme thinness, chemical resistance, and mechanical strength, provided that selective nanopores are successfully incorporated. However, screening and understanding the tran ...
Molecular simulations allow to investigate the behaviour of materials at the atomistic level, shedding light on phenomena that cannot be directly observed in experiments. Accurate results can be obtained with ab initio methods, while simulations of large-s ...
We consider the numerical approximation of an optimal control problem for an elliptic Partial Differential Equation (PDE) with random coefficients. Specifically, the control function is a deterministic, distributed forcing term that minimizes the expected ...
Over the last two decades, many technological and scientific discoveries, ranging from the development of materials for energy conversion and storage through the design of new drugs, have been accelerated by the use of preliminary in silico experiments, to ...
The design rules for materials are clear for applications with a single objective. For most applications, however, there are often multiple, sometimes competing objectives where there is no single best material and the design rules change to finding the se ...
Physically based rendering is a process for photorealistic digital image synthesis and one of the core problems in computer graphics. It involves simulating the light transport, i.e. the emission, propagation, and scattering of light through a virtual scen ...
SBI-0206965, originally identified as an inhibitor of the autophagy initiator kinase ULK1, has recently been reported as a more potent and selective AMP-activated protein kinase (AMPK) inhibitor relative to the widely used, but promiscuous inhibitor Compou ...
Shell elements derived from the Kirchhoff-Love theory have experienced a renaissance in the Finite Element community since the advent of isogeometric analysis. Despite numerous promising advancements in the field, several questions need to be addressed to ...
