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Stochastic models of reaction-diffusion systems are important for the study of biochemical reaction networks where species are present in low copy numbers or if reactions are highly diffusion limited. In living cells many such systems…

Numerical Analysis · Mathematics 2015-06-15 Stefan Hellander

Molecular-scale computation is crucial for smart materials and nanoscale devices, yet creating single-molecule systems capable of complex computations remains challenging. We present a theoretical framework for a single-molecule computer…

Statistical Mechanics · Physics 2024-10-01 Zhongmin Zhang , Zhiyue Lu

Exploring the use of individual molecules as active components in electronic devices has been at the forefront of nanoelectronics research in recent years. Compared to semiconductor microelectronics, modeling transport in single-molecule…

Mesoscale and Nanoscale Physics · Physics 2015-06-24 Yongqiang Xue , Mark A. Ratner

We present the detailed analysis of the diffusive transport of spatially inhomogeneous fluid mixtures and the interplay between structural and dynamical properties varying on the atomic scale. The present treatment is based on different…

Mesoscale and Nanoscale Physics · Physics 2011-05-19 Umberto Marini Bettolo Marconi , Simone Melchionna

Single-particle traces of the diffusive motion of molecules, cells, or animals are by-now routinely measured, similar to stochastic records of stock prices or weather data. Deciphering the stochastic mechanism behind the recorded dynamics…

Statistical Mechanics · Physics 2023-09-14 Henrik Seckler , Janusz Szwabinski , Ralf Metzler

We show that molecular dynamics (MD) simulations are capable of reproducing the drag of solute segregation atmospheres by moving grain boundaries (GBs). Although lattice diffusion is frozen out on the MD timescale, the accelerated GB…

Materials Science · Physics 2020-08-13 R. K. Koju , Y. Mishin

Molecular dynamics simulations are carried out to investigate the diffusion behavior of penetrable-sphere model fluids characterized by a finite energy barrier $\epsilon$. The self-diffusion coefficient is evaluated from the time-dependent…

Soft Condensed Matter · Physics 2010-11-22 Soong-Hyuck Suh , Chun-Ho Kim , Soon-Chul Kim , Andrés Santos

We investigate theoretically how single-molecule spectroscopy techniques can be used to perform fast and high resolution displacement detection and manipulation of nanomechanical oscillators, such as singly clamped carbon nanotubes. We…

Mesoscale and Nanoscale Physics · Physics 2015-10-21 Vadim Puller , Brahim Lounis , Fabio Pistolesi

Single-molecule biophysics has transformed our understanding of the fundamental molecular processes involved in living biological systems, but also of the fascinating physics of life. Far more exotic than a collection of exemplars of soft…

Biological Physics · Physics 2017-09-08 Helen Miller , Zhaokun Zhou , Jack Shepherd , Adam J. M. Wollman , Mark C. Leake

Using molecular dynamics simulations, we show that free diffusion of a nanoscale particle (molecule) with asymmetric structure critically depends on the orientation in a finite timescale of picoseconds to nanoseconds. In a timescale of ~100…

Soft Condensed Matter · Physics 2013-07-29 Nan Sheng , Yusong Tu , Pan Guo , Rongzheng Wan , Haiping Fang

The activity of biological cells is primarily based on chemical reactions and typically modeled as a reaction-diffusion system. Cells are, however, highly crowded with macromolecules, including a variety of molecular machines such as…

Biological Physics · Physics 2018-11-02 Yuichi Togashi

Measuring the full distribution of individual particles is of fundamental importance to characterize many-body quantum systems through correlation functions at any order. Here we demonstrate the possibility to reconstruct the momentum-space…

In order to grasp the features arising from cellular discreteness and individuality, in large parts of cell tissue modelling agent-based models are favoured. The subclass of off-lattice models allows for a physical motivation of the…

Biological Physics · Physics 2007-06-21 Gernot Schaller , Michael Meyer-Hermann

The use of ultra-thin, i.e., monolayer films plays an important role for the emerging field of nano-fluidics. Since the dynamics of such films is governed by the interplay between substrate-fluid and fluid-fluid interactions, the transport…

Other Condensed Matter · Physics 2009-11-11 M. N. Popescu , S. Dietrich , G. Oshanin

Surface charges play a fundamental role in physics and chemistry, particularly in shaping the catalytic properties of nanomaterials. Tracking nanoscale surface charge dynamics remains challenging due to the involved length and time scales.…

We report on inelastic electron tunneling spectroscopy measurements carried out on single molecules incorporated into a mechanically controllable break-junction of Au and Pt electrodes at low temperature. Here we establish a correlation…

Mesoscale and Nanoscale Physics · Physics 2010-11-16 Youngsang Kim , Hyunwook Song , Florian Strigl , Hans-Fridtjof Pernau , Takhee Lee , Elke Scheer

We study the effects of interatomic interactions on the quantum dynamics of a dense, nanoscale, atomic ensemble driven by a strong electromagnetic field. We use a self-consistent, mean-field technique based on the pseudo-spectral…

Quantum Physics · Physics 2018-01-17 C. S. DiLoreto , C. Rangan

Catalytically active macromolecules are envisioned as key building blocks in development of artificial nanomotors. However, theory and experiments report conflicting findings regarding their dynamics. The lack of consensus is mostly caused…

Statistical Mechanics · Physics 2022-09-15 Artem Ryabov , Mykola Tasinkevych

Molecular-scale interactions between solvated macromolecules and solid surfaces govern a large number of processes, from biology to engineering. Yet, despite extensive characterization at the macroscopic level, our molecular understanding…

Soft Condensed Matter · Physics 2026-05-07 Malo Velay , Jean Comtet
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