activity
20172024
most citedTime-dependent friction effects on vibrational infrared frequencies and line shapes of liquid water

46 citations · 193 across the 14 of their papers we have counts for

collaborators

14 papers

cond-mat.stat-mech2024★ 1 cited

Short-time Fokker-Planck propagator beyond the Gaussian approximation

Julian Kappler

We present a perturbation approach to calculate the short-time propagator, or transition density, of the one-dimensional Fokker-Planck equation, to in principle arbitrary order in…

cond-mat.stat-mech2024

Resolution dependence of most probable pathways with state-dependent diffusivity

Alice L. Thorneywork, Jannes Gladrow, Ulrich F. Keyser +3

Recent experiments have probed the relative likelihoods of trajectories in stochastic systems by observing survival probabilities within a tube of radius in spacetime. We measu…

physics.chem-ph2022

Barrier-crossing times for different non-Markovian friction in well and barrier A numerical study

Florian N. Brünig, Roland R. Netz, Julian Kappler

We introduce a generalized Langevin model system for different non-Markovian effects in the well and barrier regions of a potential, and use it to numerically study the dependence…

cond-mat.stat-mech2022

Diffusivity dependence of the transition path ensemble

Lukas Kikuchi, Ronojoy Adhikari, Julian Kappler

Transition pathways of stochastic dynamical systems are typically approximated by instantons. Here we show, using a dynamical system containing two competing pathways, that at low-…

physics.chem-ph2022★ 46 cited

Time-dependent friction effects on vibrational infrared frequencies and line shapes of liquid water

Florian N. Brünig, Otto Geburtig, Alexander von Canal +2

From ab initio simulations of liquid water, the time-dependent friction functions and time-averaged non-linear effective bond potentials for the OH stretch and HOH bend vibrations…

stat.ME2020★ 13 cited

Efficient Bayesian inference of fully stochastic epidemiological models with applications to COVID-19

Yuting I. Li, Günther Turk, Paul B. Rohrbach +12

Epidemiological forecasts are beset by uncertainties about the underlying epidemiological processes, and the surveillance process through which data are acquired. We present a Baye…

cond-mat.stat-mech2020

Sojourn probabilities in tubes and pathwise irreversibility for Itô processes

Julian Kappler, Michael E. Cates, Ronojoy Adhikari

The sojourn probability of an Itô diffusion process, i.e. its probability to remain in the tubular neighborhood of a smooth path, is a central quantity in the study of path probabi…

cond-mat.stat-mech2020★ 4 cited

Measurement of irreversibility and entropy production via the tubular ensemble

Julian Kappler, Ronojoy Adhikari

The appealing theoretical measure of irreversibility in a stochastic process, as the ratio of the probabilities of a trajectory and its time reversal, cannot be accessed directly i…

cond-mat.stat-mech2020★ 10 cited

Stochastic action for tubes: Connecting path probabilities to measurement

Julian Kappler, Ronojoy Adhikari

The trajectories of diffusion processes are continuous but non-differentiable, and each occurs with vanishing probability. This introduces a gap between theory, where path probabil…

cond-mat.stat-mech2020★ 14 cited

Experimental measurement of relative path probabilities and stochastic actions

Jannes Gladrow, Ulrich F. Keyser, R. Adhikari +1

For diffusive stochastic dynamics, the probability to observe any individual trajectory is vanishingly small, making it unclear how to experimentally validate theoretical results f…

q-bio.PE2020★ 14 cited

Inference, prediction and optimization of non-pharmaceutical interventions using compartment models: the PyRoss library

R. Adhikari, Austen Bolitho, Fernando Caballero +15

PyRoss is an open-source Python library that offers an integrated platform for inference, prediction and optimisation of NPIs in age- and contact-structured epidemiological compart…

physics.flu-dyn2020★ 22 cited

Molecular interpretation of the non-Newtonian viscoelastic behavior of liquid water at high frequencies

Julius C. F. Schulz, Alexander Schlaich, Matthias Heyden +2

Using classical as well as ab-initio molecular dynamics simulations, we calculate the frequency-dependent shear viscosity of pure water and water-glycerol mixtures. In agreement wi…

physics.chem-ph2019★ 38 cited

Non-Markovian barrier crossing with two-time-scale memory is dominated by the faster memory component

Julian Kappler, Victor B. Hinrichsen, Roland R. Netz

We investigate non-Markovian barrier-crossing kinetics of a massive particle in one dimension in the presence of a memory function that is the sum of two exponentials with differen…

physics.flu-dyn2017★ 31 cited

Nonlinear fractional waves at elastic interfaces

Julian Kappler, Shamit Shrivastava, Matthias F. Schneider +1

We derive the nonlinear fractional surface wave equation that governs compression waves at an interface that is coupled to a viscous bulk medium. The fractional character of the di…