Zobrazeno 1 - 10
of 4 767
pro vyhledávání: '"A. Hirshberg"'
We present an inference scheme of long timescale, non-exponential kinetics from Molecular Dynamics simulations accelerated by stochastic resetting. Standard simulations provide valuable insight into chemical processes but are limited to timescales sh
Externí odkaz:
http://arxiv.org/abs/2410.09805
Stochastic resetting, the procedure of stopping and re-initializing random processes, has recently emerged as a powerful tool for accelerating processes ranging from queuing systems to molecular simulations. However, its usefulness is severely limite
Externí odkaz:
http://arxiv.org/abs/2409.14419
Autor:
Church, Jonathan R., Blumer, Ofir, Keidar, Tommer D., Ploutno, Leo, Reuveni, Shlomi, Hirshberg, Barak
We present a procedure for enhanced sampling of molecular dynamics simulations through informed stochastic resetting. Many phenomena, such as protein folding and crystal nucleation, occur over time scales that are inaccessible using standard simulati
Externí odkaz:
http://arxiv.org/abs/2409.10115
Autor:
Litman, Yair, Kapil, Venkat, Feldman, Yotam M. Y., Tisi, Davide, Begušić, Tomislav, Fidanyan, Karen, Fraux, Guillaume, Higer, Jacob, Kellner, Matthias, Li, Tao E., Pós, Eszter S., Stocco, Elia, Trenins, George, Hirshberg, Barak, Rossi, Mariana, Ceriotti, Michele
Atomic-scale simulations have progressed tremendously over the past decade, largely due to the availability of machine-learning interatomic potentials. These potentials combine the accuracy of electronic structure calculations with the ability to rea
Externí odkaz:
http://arxiv.org/abs/2405.15224
Multi-rotor aerial autonomous vehicles (MAVs) primarily rely on vision for navigation purposes. However, visual localization and odometry techniques suffer from poor performance in low or direct sunlight, a limited field of view, and vulnerability to
Externí odkaz:
http://arxiv.org/abs/2402.17289
Unveiling a crystal's entropy of disorder via electron diffraction. A statistical mechanics approach
Autor:
Liu, Dongxin, Elishav, Oren, Fu, Jiarui, Sakakibara, Masaya, Yamanouchi, Kaoru, Hirshberg, Barak, Nakamuro, Takayuki, Nakamura, Eiichi
Upon melting, the molecules in the crystal explore numerous configurations, reflecting an increase in disorder. The molar entropy of disorder can be defined by Bolzmann's formula dSd = Rln(Wd) where Wd is the increase in the number of microscopic sta
Externí odkaz:
http://arxiv.org/abs/2402.04738
Controlling the size distribution in the nucleation of copper particles is crucial for achieving nanocrystals with desired physical and chemical properties. However, their synthesis involves a complex system of solvents, ligands, and copper precursor
Externí odkaz:
http://arxiv.org/abs/2402.02568
Infrequent Metadynamics is a popular method to obtain the rate of long timescale processes from accelerated simulations. The inference procedure is based on rescaling the first-passage times of Metadynamics trajectories using a bias-dependent acceler
Externí odkaz:
http://arxiv.org/abs/2401.14237
We construct an uncountable family of pairwise nonisomorphic AH algebras with the same Elliott invariant and same radius of comparison. They can be distinguished by a local radius of comparison function, naturally defined on the positive cone of the
Externí odkaz:
http://arxiv.org/abs/2312.11203
Given a unital $C(X)$-algebra $A$ discrete group $\Gamma$ and an action $\alpha: \Gamma\to \text{aut}(A)$ which leaves $C(X)$ invariant and such that $C(X)\rtimes_{\alpha,r} \Gamma$ is simple, and a $2$-cocycle $\omega$, we obtain a bijective corresp
Externí odkaz:
http://arxiv.org/abs/2312.07702