Results 61 to 70 of about 656,651 (288)

Better force fields start with better data: A data set of cation dipeptide interactions

Scientific Data, 2022
Measurement(s) Some Energy • Charge • Electrostatic Potential • Electron Density • Conformational Search Technology Type(s) Computational Chemistry • Computational Chemistry Statistics • Multi-Stage Sampling Sample Characteristic - Organism Amino Acid ...
Xiaojuan Hu, Maja-Olivia Lenz-Himmer, Carsten Baldauf   +2 more
doaj   +1 more source

Data‐Driven Modeling of Composition–Processing–Microstructure Relations for Recycled Aluminum Cast Alloys

Advanced Science, EarlyView.
Interpretable machine learning reveals how composition and processing govern the formation and microstructural burden of Fe‐rich intermetallic compounds in recycled Al–Si–Fe–Mn alloys. By separating morphology selection from morphology‐conditioned burden partitioning, this framework shows that identical Fe contents can yield different intermetallic ...
Jaemin Wang, Waleed Mohammed, Dierk Raabe   +2 more
wiley   +1 more source

Cost Pass‐Through in Crisis: Evidence From the German Malt‐Beer Supply Chain

Agribusiness, EarlyView.
Abstract Global agri‐food supply chains are increasingly exposed to geopolitical shocks, climate volatility, and market consolidation, factors that disrupt traditional price relationships and reshape market power dynamics. Nowhere is this more visible than in the brewing sector, where agricultural raw materials meet complex industrial processing and ...
Nikolas Bublik, Lukáš Čechura
wiley   +1 more source

Co-expression of cell wall related genes: new tools and insights

Frontiers in Plant Science, 2012
Global transcript analyses based on publicly available microarray dataset have revealed that genes with similar function tend to be transcriptionally coordinated.
Colin eRuprecht, Staffan ePersson
doaj   +1 more source

Dynamics and manipulation of entanglement in coupled harmonic systems with many degrees of freedom

, 2004
Published ...
Audenaert K, Breuer H P, Brun T A, Christandl M Datta N Ekert A Landahl A J, Eisert J, Eisert J Plenio M B Bose S Hartley J, Guilini D, Halliwell J J, Hein M Eisert J Briegel H J, J Eisert, J Hartley, Khaneja N, M B Plenio, Olver F W J, Osborne T Linden N, Raussendorf R, Roukes M L, Schlingemann D, Simon R, Subrahmanyan V, Vidal G, Wolf M M Verstraete F Cirac J I, Zurek W H, Zyczkowski K, Zürcher U   +24 more
core   +2 more sources

Optically controlled grippers for manipulating micron-sized particles [PDF]

, 2007
We report the development of a joystick controlled gripper for the real-time manipulation of micron-sized objects, driven using holographic optical tweezers (HOTs).
Ashkin A, Fiona Beck, Graeme Whyte, Graham Gibson, Louise Barron, Miles Padgett, Reicherter M, Sato S, Tan K L   +8 more
core   +3 more sources

Universally Accurate or Specifically Inadequate? Stress‐Testing General Purpose Machine Learning Interatomic Potentials

Advanced Intelligent Discovery, EarlyView.
We investigate MACE‐MP‐0 and M3GNet, two general‐purpose machine learning potentials, in materials discovery and find that both generally yield reliable predictions. At the same time, both potentials show a bias towards overstabilizing high energy metastable states. We deduce a metric to quantify when these potentials are safe to use.
Konstantin S. Jakob, Karsten Reuter, Johannes T. Margraf   +2 more
wiley   +1 more source

The solvation shell probed by resonant intermolecular Coulombic decay

Nature Communications
Molecules involved in solvation shells have properties differing from those of the bulk solvent, which can in turn affect reactivity. Among key properties of these molecules are their nature and electronic structure.
Rémi Dupuy, Tillmann Buttersack, Florian Trinter, Clemens Richter, Shirin Gholami, Olle Björneholm, Uwe Hergenhahn, Bernd Winter, Hendrik Bluhm   +8 more
doaj   +1 more source

Plant cell shapes: Modulators and Measurements

Frontiers in Plant Science, 2013
Plant cell shape, seen as an integrative output, is of considerable interest in various fields, such as cell wall research, cytoskeleton dynamics and biomechanics.
Alexander eIvakov, Staffan ePersson
doaj   +1 more source

HITRAP: A facility at GSI for highly charged ions

, 2007
An overview and status report of the new trapping facility for highly charged ions at the Gesellschaft fuer Schwerionenforschung is presented. The construction of this facility started in 2005 and is expected to be completed in 2008.
Beier, T., Blaum, K., Dahl, L., Eliseev, S., Herfurth, F., Hofmann, B., Kester, O., Kluge, H. -J., Koszudowski, S., Kozhuharov, C., Maero, G., Noertershaeuser, W., Pfister, J., Quint, W., Ratzinger, U., Schempp, A., Schuch, R., Stoehlker, T., Thompson, R. C., Vogel, M., Vorobjev, G., Werth, G., Winters, D. F. A.   +22 more
core   +1 more source