Publications associées à Large-scale benchmarks of the time-warp/graph-theoretical kinetic Monte Carlo approach for distributed on-lattice simulations of catalytic kinetics

Publications associées (8)

Pd-Catalyzed Strain-Releasing Dyotropic Rearrangement: Ring-Expanding Amidofluorination of Methylenecyclobutanes

Jieping Zhu, Baochao Yang, Guoqiang Yang

Under the Pd(II)/Pd(IV) catalytic cycle, the cyclization of pent-4-en-1-amine derivatives typically yields either pyrrolidines or piperidines depending on the N-protecting group. We report herein an unprecedented Pd(II)-catalyzed oxidative domino process t ...

2025

NoiseNCA: Noisy Seed Improves Spatio-Temporal Continuity of Neural Cellular Automata

Sabine Süsstrunk, Ehsan Pajouheshgar, Yitao Xu

Neural Cellular Automata (NCA) is a class of Cellular Automata where the update rule is parameterized by a neural network that can be trained using gradient descent. In this paper, we focus on NCA models used for texture synthesis, where the update rule is ...

MIT Press2024

A halted photodeposition technique controls co-catalyst loading and morphology on organic semiconductor nanoparticles for solar H 2 production

Kevin Sivula, Victor Carle Adrien Boureau, Colin Jeanguenat, Connor Robert Firth

Solar hydrogen production with semiconductor photocatalyst particles typically requires co-catalysts to accelerate the hydrogen evolution reaction, but since co-catalysts are often deposited in situ, the rate of their nucleation/growth and role in parasiti ...

Wiley2024

Traveling discontinuity at the quantum butterfly front

Camille Didier Georges Aron

We formulate a kinetic theory of quantum information scrambling in the context of a paradigmatic model of interacting electrons in the vicinity of a superconducting phase transition. We carefully derive a set of coupled partial differential equations that ...

2023

Running the Dual-PQC GAN on noisy simulators and real quantum hardware

Su Yeon Chang

In an earlier work [1], we introduced dual-Parameterized Quantum Circuit (PQC) Generative Adversarial Networks (GAN), an advanced prototype of quantum GAN. We applied the model on a realistic High-Energy Physics (HEP) use case: the exact theoretical simula ...

IOP PUBLISHING LTD2023

Inkjet-Printed Soft Intelligent Medical Bracelet for Simultaneous Real-Time Sweat Potassium (K+), Sodium (Na+), and Skin Temperature Analysis

Sandro Carrara, Ata Jedari Golparvar, Ali Meimandi

Truly wearable, fully flexible, and multiparametric sweat analysis with soft and socially discrete packaging offers tremendous potential to enable the next generation of noninvasive digital biomarkers analysis. Several examples of miniaturized potentiometr ...

IEEE-INST ELECTRICAL ELECTRONICS ENGINEERS INC2023

Harnessing data science to improve molecular structure elucidation from tandem mass spectrometry

Fernando Perez Cruz, Guillaume Romain Obozinski, Marco Volpi

Compound structural identification for non-targeted screening of organic molecules in complex mixtures is commonly carried out using liquid chromatography coupled to tandem mass spectrometry (UHPLC-HRMS/MS and related techniques). Instrumental developments ...

2023

Large deviations in the early Universe

Timothy Cohen

Fluctuations play a critical role in cosmology. They are relevant across a range of phenomena from the dynamics of inflation to the formation of structure. In many cases, these fluctuations are coarse grained and follow a Gaussian distribution as a consequ ...

American Physical Society2023