Jonathan Weare

发表

Integrated Variational Approach to Conformational Dynamics: A Robust Strategy for Identifying Eigenfunctions of Dynamical Operators

Aaron R. Dinner, Chatipat Lorpaiboon, Erik H. Thiede, 2020 .

Integrated VAC: A robust strategy for identifying eigenfunctions of dynamical operators.

Aaron R. Dinner, Chatipat Lorpaiboon, Erik H. Thiede, 2020, The journal of physical chemistry. B.

On the statistical equivalence of restrained-ensemble simulations with the maximum entropy method.

Benoît Roux, Jonathan Weare, B. Roux, 2013, The Journal of chemical physics.

Improved Fast Randomized Iteration Approach to Full Configuration Interaction.

Robert J. Webber, Jonathan Weare, Timothy C. Berkelbach, 2020, Journal of chemical theory and computation.

Steered transition path sampling.

Jonathan Weare, Nicholas Guttenberg, Aaron R Dinner, 2012, The Journal of chemical physics.

Finding Chemical Reaction Paths with a Multilevel Preconditioning Protocol

Aaron R. Dinner, Jonathan Weare, Seyit Kale, 2014, Journal of chemical theory and computation.

Fast-Randomized-Iteration-FRI-: First release of FRI example code

Jonathan Weare, 2015 .

Fast-Randomized-Iteration-FRI-: improved code

Jonathan Weare, James F. Dama, 2015 .

The Theory of Ultra-Coarse-Graining. 1. General Principles.

Benoît Roux, Jonathan Weare, Gregory A Voth, 2013, Journal of chemical theory and computation.

Using multiscale preconditioning to accelerate the convergence of iterative molecular calculations.

Bo Qi, Jonathan Weare, Aaron R Dinner, 2014, The Journal of chemical physics.

Efficient Monte Carlo sampling by parallel marginalization

Jonathan Weare, J. Weare, 2007, Proceedings of the National Academy of Sciences.

GPCRDB: information system for G protein-coupled receptors

Øyvind Edvardsen, Gert Vriend, Fabien Campagne, 2010, Nucleic Acids Res..

Stratification of Markov processes for rare event simulation

Jonathan Weare, 2015 .

Improved diffusion Monte Carlo and the Brownian fan

Martin Hairer, Jonathan Weare, Martin Hairer, 2012 .

Multiple Time-Step Dual-Hamiltonian Hybrid Molecular Dynamics - Monte Carlo Canonical Propagation Algorithm.

Jonathan Weare, Yunjie Chen, Benoît Roux, 2016, Journal of chemical theory and computation.

A metric on directed graphs and Markov chains based on hitting probabilities pdf

Peter J. Mucha, Braxton Osting, Jonathan Weare, 2020, ArXiv.

A Kinetic Monte Carlo Approach for Simulating Cascading Transmission Line Failure pdf

Mihai Anitescu, David A. Barajas-Solano, Jonathan Weare, 2019, Multiscale Model. Simul..

Beyond Walkers in Stochastic Quantum Chemistry: Reducing Error using Fast Randomized Iteration.

Robert J. Webber, Jonathan Weare, Timothy C. Berkelbach, 2019, Journal of chemical theory and computation.

Error bounds for dynamical spectral estimation pdf

Aaron R. Dinner, Erik H. Thiede, Robert J. Webber, 2020, ArXiv.

Stratification of Markov Chain Monte Carlo

Aaron R. Dinner, Brian Van Koten, Erik H. Thiede, 2017 .

Minimizing memory as an objective for coarse-graining.

Jonathan Weare, Gregory A Voth, Nicholas Guttenberg, 2013, The Journal of chemical physics.

Dimensional reduction for particle filters of systems with time-scale separation

Panagiotis Stinis, Jonathan Weare, Dror Givon, 2007 .

Approximating matrix eigenvalues by subspace iteration with repeated random sparsification

Robert J. Webber, Jonathan Weare, Timothy C. Berkelbach, 2021 .

Ensemble Markov chain Monte Carlo with teleporting walkers pdf

Jonathan Weare, Michael Lindsey, Anna Zhang, 2021, SIAM/ASA J. Uncertain. Quantification.

Approximating matrix eigenvalues by randomized subspace iteration pdf

Robert J. Webber, Jonathan Weare, Timothy C. Berkelbach, 2021, ArXiv.

Exploring stratospheric rare events with transition path theory and short simulations

Jonathan Weare, Dorian S. Abbot, Edwin P. Gerber, 2021 .

Learning forecasts of rare stratospheric transitions from short simulations

Robert J. Webber, Jonathan Weare, Dorian S. Abbot, 2021, Monthly Weather Review.

Long-Time-Scale Predictions from Short-Trajectory Data: A Benchmark Analysis of the Trp-Cage Miniprotein.

Chatipat Lorpaiboon, Jonathan Weare, B. P. Vani, 2020, Journal of chemical theory and computation.

Galerkin approximation of dynamical quantities using trajectory data.

Erik H. Thiede, Jonathan Weare, Dimitrios Giannakis, 2018, The Journal of chemical physics.

DATA ASSIMILATION IN THE LOW NOISE, ACCURATE OBSERVATION REGIME WITH APPLICATION TO THE KUROSHIO CURRENT

Eric Vanden-Eijnden, Jonathan Weare, E. Vanden-Eijnden, 2012 .

Umbrella sampling: a powerful method to sample tails of distributions

Fermilab, Jonathan Weare, Astrophysics, 2017, Monthly Notices of the Royal Astronomical Society.

The evolution of a crystal surface: Analysis of a one-dimensional step train connecting two facets in the ADL regime

Robert V. Kohn, Jonathan Weare, R. Kohn, 2011 .

Parallel marginalization Monte Carlo with applications to conditional path sampling

Jonathan Weare, J. Weare, 2007, 0709.1721.

Relaxation of a family of broken-bond crystal-surface models.

Jonathan Weare, J. Marzuola, Jeremy L Marzuola, 2013, Physical review. E, Statistical, nonlinear, and soft matter physics.

Improved Diffusion Monte Carlo

Martin Hairer, Jonathan Weare, Martin Hairer, 2012, 1207.2866.

AN AFFINE-INVARIANT SAMPLER FOR EXOPLANET FITTING AND DISCOVERY IN RADIAL VELOCITY DATA

Christian Schwab, Jonathan Weare, Jonathan Goodman, 2011, 1104.2612.

Practical rare event sampling for extreme mesoscale weather.

Jonathan Weare, Robert J Webber, D. Abbot, 2019, Chaos.

Eigenvector method for umbrella sampling enables error analysis.

Erik H. Thiede, Jonathan Weare, Aaron R Dinner, 2016, The Journal of chemical physics.