A generalized Poisson and Poisson-Boltzmann solver for electrostatic environments

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Training Efficient Controllers via Analytic Policy Gradient

Dario Floreano, Davide Scaramuzza, Valentin Wüest

Control design for robotic systems is complex and often requires solving an optimization to follow a trajectory accurately. Online optimization approaches like Model Predictive Control (MPC) have been shown to achieve great tracking performance, but requir ...

New York2023

Adaptive Symplectic Model Order Reduction Of Parametric Particle-Based Vlasov-Poisson Equation

Cecilia Pagliantini, Jan Sickmann Hesthaven, Nicolò Ripamonti

. High-resolution simulations of particle-based kinetic plasma models typically require a high number of particles and thus often become computationally intractable. This is exacerbated in multi-query simulations, where the problem depends on a set of para ...

AMER MATHEMATICAL SOC2023

Multiphysics model for assessing photoelectrochemical phenomena under concentrated irradiation

Sophia Haussener, Isaac Thomas Holmes-Gentle, Franky Esteban Bedoya Lora

A multiphysics model was developed for a photoelectrochemical (PEC) cell at the device level to simulate water splitting operating under concentrated irradiation (between 50 to 600 kW m−2). The 2D model couples charge, heat, mass, photon, and momentum tran ...

2023

Lattice Green's function method for Atomistic/Continuum coupling

Ankit Gupta

Metal plasticity is an inherently multiscale phenomenon due to the complex long-range field of atomistic dislocations that are the primary mechanism for plastic deformation in metals. Atomistic/Continuum (A/C) coupling methods are computationally efficient ...

EPFL2023

Bayesian Optimization for Chemical Reactions

Philippe Schwaller, Bojana Rankovic, Jeff Guo

Reaction optimization is challenging and traditionally delegated to domain experts who iteratively pro-pose increasingly optimal experiments. Problematically, the reaction landscape is complex and often requires hundreds of experiments to reach convergence ...

Swiss Chemical Soc2023

In-vivo investigation of electrochemical behavior of Ti and CoCrMo alloy in human synovial fluids

Yueyue Bao

With the development of modern medical techniques, the application of orthopedic implants has been continually increasing in recent years. Passive materials, such as Ti and its alloys as well as CoCrMo alloys, are widely used in artificial joints due to th ...

EPFL2023

Efficient approximation of cardiac mechanics through reduced-order modeling with deep learning-based operator approximation

Alfio Quarteroni, Andrea Manzoni

Reducing the computational time required by high-fidelity, full-order models (FOMs) for the solution of problems in cardiac mechanics is crucial to allow the translation of patient-specific simulations into clinical practice. Indeed, while FOMs, such as th ...

Wiley2023

New Cu (I) complexes as catalyst for "click" reaction: An experimental and computational study

Farzaneh Fadaei Tirani

In this work, two novel well-defined Cu (I) complexes of a Schiff base ligand are described. For this purpose, N, N '-bis (trans-cinnamaldehyde) ethylenediimine [C20H20N2] (L) and Cu (I) complex of the type [CuC20H20N2)PPh3Cl] (C1) and [Cu(C20H20N2)PPh3Br] ...

WILEY2023

Evolution of the electrical double layer with electrolyte concentration probed by second harmonic scattering

Arianna Marchioro, Sylvie Roke, Bingxin Chu, Marie Bischoff

Investigating the electrical double layer (EDL) structure has been a long-standing challenge and has seen the emergence of several sophisticated techniques able to probe selectively the few molecular layers of a solid/water interface. While a qualitative e ...

ROYAL SOC CHEMISTRY2023

Fast in vivo assay of creatine kinase activity in the human brain by P-31 magnetic resonance fingerprinting

Lijing Xin, Songi Lim, Daniel Wenz, Mark Stephan Widmaier

A new and efficient magnetisation transfer P-31 magnetic resonance fingerprinting (MT-P-31-MRF) approach is introduced to measure the creatine kinase metabolic rate kCK

{k}_{\mathrm{CK}}

between phosphocreatine (PCr) and adenosine triphosphate (ATP) i ...

WILEY2023

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