96 citations · 651 across the 28 of their papers we have counts for
28 papers
Times Square sampling: an adaptive algorithm for free energy estimation
Cristian Predescu, Michael Snarski, Avi Robinson-Mosher +3
Estimating free energy differences, an important problem in computational drug discovery and in a wide range of other application areas, commonly involves a computationally intensi…
The -series: A separable decomposition for electrostatics computation with improved accuracy
Cristian Predescu, Adam K. Lerer, Ross A. Lippert +4
The evaluation of electrostatic energy for a set of point charges in a periodic lattice is a computationally expensive part of molecular dynamics simulations (and other application…
Entropic effects in large-scale Monte Carlo simulations
Cristian Predescu
The efficiency of Monte Carlo samplers is dictated not only by energetic effects, such as large barriers, but also by entropic effects that are due to the sheer volume that is samp…
Sampling diffusive transition paths
Thomas F. Miller, Cristian Predescu
We address the problem of sampling double-ended diffusive paths. The ensemble of paths is expressed using a symmetric version of the Onsager-Machlup formula, which only requires ev…
Generalized moments of spectral functions from short-time correlation functions
Cristian Predescu
We present an integral transformation capable of extracting moments of arbitrary Paley-Wiener entire functions against a given spectral distribution based solely on short-time valu…
Highly optimized fourth-order short-time approximation for path integrals
Cristian Predescu
This paper is withdrawn due to copyright restrictions. The final version will become available at this url: http://pubs.acs.org/journals/jpcbfh/