Check out SIAM's latest book, Riemann Problems and Jupyter Solutions by David I. Ketcheson, Randall J. LeVeque, and Mauricio J. del Razo! bookstore.siam.org/fa16

We propose temperature-steerable flows that learn a family of probability distributions parametrized by temperature. Allows to use flows in combination with parallel tempering simulation for sampling. Led by Manuel Dibak and Leon Klein. arxiv.org/abs/2012.00429

New paper published in Phys. Rev. E with Alejandro Pérez Riascos. I have been interested in encounter times of random walks for a long time. We were able to find exact results for encounter times on complex networks, using spectral properties. journals.aps.org/pre/abstract/1…

FEDn 0.2.2 is out: github.com/scaleoutsystem… Mostly docs updates, and we have improved how we handle sample data for the getting-started examples. #fedml

Our new study: Asymptotics for the fastest among N stochastics particles: role of an extended initial distribution and an additional drift component iopscience.iop.org/article/10.108… reveals a new law for the search time when the initial distribution of molecules intersect a target source.

"I have always been more interested in experiment, than in accomplishment." Happy Birthday, Orson Welles! (Portrait by Victor Skrebneski, 1970.)

[2105.02767] Simon Olsson: Markov State Models of protein-protein encounters arxiv.org/abs/2105.02767 arxiv.org/pdf/2105.02767… #physics_bio_ph

How to explain the large distribution of interburst durations in neuronal networks? This can be explain by a mechanism discussed in Escape from an attractor generated by recurrent exit link.aps.org/doi/10.1103/Ph… DOI: 10.1103/PhysRevResearch.3.023115

MolSSI Board of Directors member, Prof. Cecilia Clementi Cecilia Clementi, is a co-author of a new paper in Chem Reviews: “Unsupervised Learning Methods for Molecular Simulation Data." Take a look! pubs.acs.org/doi/10.1021/ac…

Data-driven equation of passive membrane permeation from compressed sensing of high-throughput MD simulations 🤩🥳 Spearheaded by Arghya Dutta, together with Luca Ghiringhelli and Jilles Vreeken. aip.scitation.org/doi/full/10.10…

Leon Klein and Manuel Dibak present advances in temperature-steerable flows and Boltzmann Generators arxiv.org/abs/2108.01590

Excited to present our probabilistic framework for particle-based reaction-diffusion. To model reactions, one uses the chemical master equation, for diffusion, the Fokker-Planck equation. For reaction-diffusion ... arxiv.org/abs/2109.13616

Computational postdocs! Apply for a Fellowship in DBMI and join our group! Contact me for more details on the positions available and about research in the QCC lab in sunny San Diego, CA 🌊🌞 UC San Diego Health UC San Diego UCSD Health Moores Cancer Center CRCERA

Interested in a PhD on the interface of #machinelearning and biology/biophysics/comp chem? This is a good opportunity and allows us to admit both students with Bachelor and Master degrees on separate tracks: molgen.mpg.de/IMPRS/applicat…

One of my sculptures of 4D attractors, projected on 3D space done with #houdini Check instagram.com/mavier.srz for more.

Last year, we looked at the other part of the problem with Tim Hempel Rommie Amaro Bryn Taylor, PhD Christopher Lee Mauricio J. del Razo: Given an MD trajectory, how should we best group a set of molecular features into sets so that each set is best described by an independent MSM? pnas.org/doi/10.1073/pn…

Consider submitting to our research topic Spatiotemporal Investigation of Organization, Aggregation, and Self-Assembly at Membranes frontiersin.org/research-topic… Thanks Mohsen for initiating; co-edited by Thomas Weikl, Shreyas Kaptan, Mauricio J. del Razo, @Blendenfleck, and myself.

With Michele Ceriotti, Gabor Csanyi, and Lixin Sun, we are organizing an awesome conference in Berlin on June 19-23: "Bridging length scales with machine learning: from wavefunctions to thermodynamics". Check it out: sites.google.com/view/cecam-psi…