Zobrazeno 1 - 10
of 195
pro vyhledávání: '"Christoph Dellago"'
Autor:
Sebastian Falkner, Alessandro Coretti, Salvatore Romano, Phillip L Geissler, Christoph Dellago
Publikováno v:
Machine Learning: Science and Technology, Vol 4, Iss 3, p 035050 (2023)
Understanding the dynamics of complex molecular processes is often linked to the study of infrequent transitions between long-lived stable states. The standard approach to the sampling of such rare events is to generate an ensemble of transition path
Externí odkaz:
https://doaj.org/article/272ce046e95a4cf6971fe44bb59fd144
Publikováno v:
ACS Omega, Vol 5, Iss 34, Pp 21374-21384 (2020)
Externí odkaz:
https://doaj.org/article/33dc4c5c9d694b04aab877f33cacc473
Autor:
Chiara Cardelli, Valentino Bianco, Lorenzo Rovigatti, Francesca Nerattini, Luca Tubiana, Christoph Dellago, Ivan Coluzza
Publikováno v:
Scientific Reports, Vol 7, Iss 1, Pp 1-10 (2017)
Abstract Heteropolymers are important examples of self-assembling systems. However, in the design of artificial heteropolymers the control over the single chain self-assembling properties does not reach that of the natural bio-polymers, and in partic
Externí odkaz:
https://doaj.org/article/18aa4f50970942d0845915aecd7cea5e
Publikováno v:
Biomimetics, Vol 4, Iss 1, p 12 (2019)
The influence of the coordination of (reversible) cross-links on the mechanical properties of aligned fiber bundles is investigated. Two polymeric systems containing cross-links of different coordination (two- and three-fold coordination) but having
Externí odkaz:
https://doaj.org/article/a03d4183705f4e85ba5e9e4f04b0c8f5
Autor:
Christoph Dellago, Gerhard Hummer
Publikováno v:
Entropy, Vol 16, Iss 1, Pp 41-61 (2013)
As shown by Jarzynski, free energy differences between equilibrium states can be expressed in terms of the statistics of work carried out on a system during non-equilibrium transformations. This exact result, as well as the related Crooks fluctuation
Externí odkaz:
https://doaj.org/article/366ae59214bf461eacd6cb87eb62ed1d
Autor:
Ivan Coluzza, Jessie Creamean, Michel J. Rossi, Heike Wex, Peter Aaron Alpert, Valentino Bianco, Yvonne Boose, Christoph Dellago, Laura Felgitsch, Janine Fröhlich-Nowoisky, Hartmut Herrmann, Swetlana Jungblut, Zamin A. Kanji, Georg Menzl, Bruce Moffett, Clemens Moritz, Anke Mutzel, Ulrich Pöschl, Michael Schauperl, Jan Scheel, Emiliano Stopelli, Frank Stratmann, Hinrich Grothe, David G. Schmale
Publikováno v:
Atmosphere, Vol 8, Iss 8, p 138 (2017)
There has been increasing interest in ice nucleation research in the last decade. To identify important gaps in our knowledge of ice nucleation processes and their impacts, two international workshops on ice nucleation were held in Vienna, Austria in
Externí odkaz:
https://doaj.org/article/dcad1b8f3324446fbb38f74ef44cafd1
Publikováno v:
Physical Review X, Vol 7, Iss 2, p 021047 (2017)
Proteins that are functional at ambient conditions do not necessarily work at extreme conditions of temperature T and pressure P. Furthermore, there are limits of T and P above which no protein has a stable functional state. Here, we show that these
Externí odkaz:
https://doaj.org/article/6e91891855fe431b9a5f21dabe9ac265
Publikováno v:
New Journal of Physics, Vol 17, Iss 4, p 045011 (2015)
Laser trapped nanoparticles have been recently used as model systems to study fundamental relations holding far from equilibrium. Here we study a nanoscale silica sphere levitated by a laser in a low density gas. The center of mass motion of the part
Externí odkaz:
https://doaj.org/article/896c0b3c3805427c85f0911175e88ce6
Autor:
Hendrik Jung, Roberto Covino, A. Arjun, Christian Leitold, Christoph Dellago, Peter G. Bolhuis, Gerhard Hummer
Publikováno v:
Nature Computational Science
Molecular self-organization driven by concerted many-body interactions produces the ordered structures that define both inanimate and living matter. Here we present an autonomous path sampling algorithm that integrates deep learning and transition pa
Autor:
Gregory R. Bowman, Stephen J. Cox, Christoph Dellago, Kateri H. DuBay, Joel D. Eaves, Daniel A. Fletcher, Layne B. Frechette, Michael Grünwald, Katherine Klymko, JiYeon Ku, Ahmad K. Omar, Eran Rabani, David R. Reichman, Julia R. Rogers, Andreana M. Rosnik, Grant M. Rotskoff, Anna R. Schneider, Nadine Schwierz, David A. Sivak, Suriyanarayanan Vaikuntanathan, Stephen Whitelam, Asaph Widmer-Cooper
Publikováno v:
Annual review of physical chemistry, vol 74, iss 1
Phillip L. Geissler made important contributions to the statistical mechanics of biological polymers, heterogeneous materials, and chemical dynamics in aqueous environments. He devised analytical and computational methods that revealed the underlying
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::025949652cc1fbed5379b498a4b5e986
https://www.repository.cam.ac.uk/handle/1810/347057
https://www.repository.cam.ac.uk/handle/1810/347057