Grants:

NSF DMS 2111277 (2021-2024)

NSF DMS 1818726 (2018-2021)

NSF DMS 1522398 (2015-2018)

NIH GM115805-06 (2020)

Publications:

S. Kania, R.J. Webber, G. Simpson, D. Aristoff, and D.M. Zuckerman. RiteWeight: Randomized iterative trajectory reweighting for steady-state distributions without discretization error. arxiv:2401.05597v2 (in revisions)

W.H. Ryu, J.D. Russo, M. Johnson, J. Copperman, J. Thompson, D. LeBard, R.J. Webber, G. Simpson, David Aristoff, and D.M. Zuckerman. Reducing weighted ensemble variance with optimal trajectory management. J. Chem. Phys. 164, 094110 (2026)

L. Seelinger, A. Reinarz, M. Lykkegaard et. al. Democratizing uncertainty quantification. J. Comp. Phys. 521, 113542 (2025)

D. Aristoff, M. Johnson, G. Simpson, and R.J. Webber. The Fast Committor Machine: Interpretable Prediction With Kernels. J. Chem. Phys. 161, 084113 (2024)

D. Aristoff, J. Copperman, N. Mankovich, and A. Davies. Featurizing Koopman mode decomposition for robust forecasting. J. Chem. Phys. 161, 064103 (2024)

D. Aristoff and W. Bangerth. A benchmark for the Bayesian inversion of coefficients in partial differential equations. SIAM Review 65(4), 1074--1105 (2023)

D. Aristoff, J.Copperman, G. Simpson, R.J. Webber, and D.M. Zuckerman. Weighted ensemble: recent mathematical developments. J. Chem. Phys. 158, 014108 (2023)

D. Aristoff, M. Johnson, and D. Perez. Arbitrarily accurate, nonparametric coarse graining with Markov renewal processes and the Mori-Zwanzig formulation. AIP Advances 13, 095131 (2023)

D. Aristoff. An ergodic theorem for the weighted ensemble method. J. Appl. Probab. 59(1), 152--166 (2022)

J.D. Russo, J. Copperman, D.M. Zuckerman, D. Aristoff, and G. Simpson. Unbiased estimation of equilibrium, rates, and committors from Markov state model analysis. arXiv:2105.13402 (2021)

R.J. Webber, D. Aristoff, and G. Simpson. A splitting method to reduce MCMC variance. arXiv:2011.13899 (2020)

D. Aristoff. and D.M. Zuckerman. Optimizing weighted ensemble sampling of steady states. SIAM Multiscale Model. Simul. 18(2), 646--673 (2020)

J. Copperman, D. Aristoff, D.E. Makarov, G. Simpson, and D.M. Zuckerman. Transient probability currents provide upper and lower bounds on non-equilibrium steady-state currents in the Smoluchowski picture. J. Chem. Phys. 151(17):174108 (2019)

D. Aristoff. Generalizing parallel replica dynamics: trajectory fragments, asynchronous computing and PDMPs. SIAM/ASA Journal on Uncertainty Quantification. 7(2): 685--719 (2019)

D. Aristoff. Analysis and optimization of weighted ensemble sampling. ESAIM: Mathematical Modelling and Numerical Analysis. 52(2018): 1219--1238 (2018)

D. Aristoff and L. Zhu. On the phase transition curve in an exponential random graph model. Adv. Appl. Prob. 50(1): 272--301 (2018)

T. Wang, P. Plecháč, and D. Aristoff. Stationary averaging for multi-scale continuous time Markov chains using parallel replica dynamics. SIAM Multiscale Model. Simul. 16(1): 1--27 (2018)

D. Aristoff and L. Zhu. Lattice gas models with long range interactions. J. Math. Phys. 58(2),023301 (2017)

D. Aristoff, S. Chill and G. Simpson. Analysis of estimators for adaptive Kinetic Monte Carlo. Comm. App. Math. and Comp. Sci. 11(2),171--186 (2016)

D. Aristoff, J.M. Bello-Rivas and R. Elber. A mathematical framework for exact milestoning. SIAM Multiscale Model. Simul. 14(1), 301--322 (2016)

D. Aristoff, T. Lelièvre, C.G. Mayne, and I. Teo. Adaptive multilevel splitting in molecular dynamics simulations. ESAIM: Proceedings and Surveys 48, 215-225 (2015)

D. Aristoff. The parallel replica method for computing equilibrium averages of Markov chains. Monte Carlo Methods Appl. 21(4), 255--273 (2015)

D. Aristoff and L. Zhu. Asymptotic structure and singularities in constrained directed graphs. Stoch. Proc. Appl. 125(11), 4154--4177 (2015)

D. Aristoff, T. Lelièvre and G. Simpson. The parallel replica method for generating long trajectories of Markov chains. Appl. Math Res. Express. 2014(2), 332--352 (2014)

D. Aristoff. Percolation in hard disks. J. Appl. Prob. 51(1), 235--246 (2014)

D. Aristoff and T. Lelièvre. Mathematical analysis of temperature accelerated dynamics. SIAM Multiscale Model Simul. 12(1), 290--317 (2014)

D. Aristoff and C. Radin. Emergent structures in large networks. J. Appl. Prob. 50, 883--888 (2013)

D. Aristoff and C. Radin. Rigidity in solids. J. Stat. Phys. 144, 1247--1255 (2011)

D. Aristoff and C. Radin. Dilatancy transition in a granular model. J. Stat. Phys. 143, 2152251 (2011)

D. Aristoff and C. Radin. First order phase transition in a model of quasicrystals. J. Phys. A: Math. Theor. 44, 255001 (2011)

D. Aristoff and C. Radin. First order phase transition of a long polymer chain. J. Phys. A: Math. Theor. 44, 065004 (2011)

D. Aristoff and C. Radin. Random close packing in a granular model. J. Math. Phys. 51, 113302 (2010)

D. Aristoff and C. Radin. Layering in crumpled sheets. Europhys. Let. 91, 56003 (2010)

D. Aristoff and C. Radin. Random loose packing in granular matter. J. Stat. Phys., 135, 1--23 (2009)

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