Publications

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1579 Publications visible to you, out of a total of 1579

Abstract

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Authors: Stanley P Owocki, Ryosuke Hirai, Philipp Podsiadlowski, Fabian R N Schneider

Date Published: 1st May 2019

Publication Type: Journal

Abstract

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Authors: Frank Timmes, Chris Fryer, Frank Timmes, Aimee L. Hungerford, Aaron Couture, Fred Adams, Wako Aoki, Almudena Arcones, David Arnett, Katie Auchettl, Melina Avila, Carles Badenes, Eddie Baron, Andreas Bauswein, John Beacom, Jeff Blackmon, Stéphane Blondin, Peter Bloser, Steve Boggs, Alan Boss, Terri Brandt, Eduardo Bravo, Ed Brown, Peter Brown, Steve Bruenn, Carl Budtz-Jørgensen, Eric Burns, Alan Calder, Regina Caputo, Art Champagne, Roger Chevalier, Alessandro Chieffi, Kelly Chipps, David Cinabro, Ondrea Clarkson, Don Clayton, Alain Coc, Devin Connolly, Charlie Conroy, Benoit Côté, Sean Couch, Nicolas Dauphas, Richard James deBoer, Catherine Deibel, Pavel Denisenkov, Steve Desch, Luc Dessart, Roland Diehl, Carolyn Doherty, Inma Domı́nguez, Subo Dong, Vikram Dwarkadas, Doreen Fan, Brian Fields, Carl Fields, Alex Filippenko, Robert Fisher, Francois Foucart, Claes Fransson, Carla Fröhlich, George Fuller, Brad Gibson, Viktoriya Giryanskaya, Joachim Görres, Stéphane Goriely, Sergei Grebenev, Brian Grefenstette, Evan Grohs, James Guillochon, Alice Harpole, Chelsea Harris, J. Austin Harris, Fiona Harrison, Dieter Hartmann, Masa-aki Hashimoto, Alexander Heger, Margarita Hernanz, Falk Herwig, Raphael Hirschi, Raphael William Hix, Peter Höflich, Robert Hoffman, Cole Holcomb, Eric Hsiao, Christian Iliadis, Agnieszka Janiuk, Thomas Janka, Anders Jerkstrand, Lucas Johns, Samuel Jones, Jordi José, Toshitaka Kajino, Amanda Karakas, Platon Karpov, Dan Kasen, Carolyn Kierans, Marc Kippen, Oleg Korobkin, Chiaki Kobayashi, Cecilia Kozma, Saha Krot, Pawan Kumar, Irfan Kuvvetli, Alison Laird, (John) Martin Laming, Josefin Larsson, John Lattanzio, James Lattimer, Mark Leising, Annika Lennarz, Eric Lentz, Marco Limongi, Jonas Lippuner, Eli Livne, Nicole Lloyd-Ronning, Richard Longland, Laura A. Lopez, Maria Lugaro, Alexander Lutovinov, Kristin Madsen, Chris Malone, Francesca Matteucci, Julie McEnery, Zach Meisel, Bronson Messer, Brian Metzger, Bradley Meyer, Georges Meynet, Anthony Mezzacappa, Jonah Miller, Richard Miller, Peter Milne, Wendell Misch, Lee Mitchell, Philipp Mösta, Yuko Motizuki, Bernhard Müller, Matthew Mumpower, Jeremiah Murphy, Shigehiro Nagataki, Ehud Nakar, Ken’ichi Nomoto, Peter Nugent, Filomena Nunes, Brian O’Shea, Uwe Oberlack, Steven Pain, Lucas Parker, Albino Perego, Marco Pignatari, Gabriel Martı́nez Pinedo, Tomasz Plewa, Dovi Poznanski, William Priedhorsky, Boris Pritychenko, David Radice, Enrico Ramirez-Ruiz, Thomas Rauscher, Sanjay Reddy, Ernst Rehm, Rene Reifarth, Debra Richman, Paul Ricker, Nabin Rijal, Luke Roberts, Friedrich Röpke, Stephan Rosswog, Ashley J. Ruiter, Chris Ruiz, Daniel Wolf Savin, Hendrik Schatz, Dieter Schneider, Josiah Schwab, Ivo Seitenzahl, Ken Shen, Thomas Siegert, Stuart Sim, David Smith, Karl Smith, Michael Smith, Jesper Sollerman, Trevor Sprouse, Artemis Spyrou, Sumner Starrfield, Andrew Steiner, Andrew W. Strong, Tuguldur Sukhbold, Nick Suntzeff, Rebecca Surman, Toru Tanimori, Lih-Sin The, Friedrich-Karl Thielemann, Alexey Tolstov, Nozomu Tominaga, John Tomsick, Dean Townsley, Pelagia Tsintari, Sergey Tsygankov, David Vartanyan, Tonia Venters, Tom Vestrand, Jacco Vink, Roni Waldman, Lifang Wang, Xilu Wang, MacKenzie Warren, Christopher West, J. Craig Wheeler, Michael Wiescher, Christoph Winkler, Lisa Winter, Bill Wolf, Richard Woolf, Stan Woosley, Jin Wu, Chris Wrede, Shoichi Yamada, Patrick Young, Remco Zegers, Michael Zingale, Simon Portegies Zwart

Date Published: 1st May 2019

Publication Type: Journal

Abstract (Expand)

Flow at the molecular level induces shear-induced unfolding of single proteins and can drive their assembly, the mechanisms of which are not completely understood. To be able to analyze the role of flow on molecules, we present uniform-flow molecular dynamics simulations at atomic level. The pull module of the GRoningen MAchine for Chemical Simulations package was extended to be able to force-group atoms within a defined layer of the simulation box. Application of this external enforcement to explicit water molecules, together with the coupling to a thermostat, led to a uniform terminal velocity of the solvent water molecules. We monitored the density of the whole system to establish the conditions under which the simulated flow is well-behaved. A maximal velocity of 1.3 m/s can be generated if a pull slice of 8 nm is used, and high velocities would require larger pull slices to still maintain a stable density. As expected, the target velocity increases linearly with the total external force applied. Finally, we suggest an appropriate setup to stretch a protein by uniform flow, in which protein extensions depend on the flow conditions. Our implementation provides an efficient computational tool to investigate the effect of the flow at the molecular level.

Authors: Ana M. Herrera-Rodríguez, Vedran Miletić, Camilo Aponte-Santamaría, Frauke Gräter

Date Published: 1st May 2019

Publication Type: Journal

Abstract

Not specified

Authors: Daniela Calzetti, Nate Bastian, Charlie Conroy, Bruce G. Elmegreen, John S. Gallagher, Mark Krumholz, Selma E. de Mink, Stella S. Offner, Elena Sabbi, Fabian R. N. Schneider, Aida Wofford, Rosemary F. G. Wyse

Date Published: 1st May 2019

Publication Type: Journal

Abstract (Expand)

In this account, we discuss the common molecular features and the related chemistry concepts across several different areas of organic electronics, including molecular semiconductors and single-molecule junctions. Despite seemingly diverse charge transport mechanisms and device set-ups, various molecular electronics systems can benefit from the same fundamental principles of physical organic chemistry, based upon the electronic structure and geometry of their molecular building blocks and the intermolecular interactions between them. This is not an exhaustive review of organic electronics, but rather a focused account of primarily our own recent efforts aimed at developing a unified approach to understanding and designing conductive molecular species for diverse electronic applications.

Authors: Ganna Gryn'ova, Clémence Corminboeuf

Date Published: 24th Apr 2019

Publication Type: Journal

Abstract

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Authors: Steven Sheridan, Frauke Gräter, Csaba Daday

Date Published: 19th Apr 2019

Publication Type: Journal

Abstract

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Authors: Philipp Gerstner, Martin Baumann, Vincent Heuveline

Date Published: 14th Apr 2019

Publication Type: Journal

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