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Physical chemistry chemical physics : PCCP, ISSN 1463-9076, 04/2012, Volume 14, Issue 16, pp. 5849 - 5854
Journal Article
Modelling and simulation in materials science and engineering, ISSN 1361-651X, 07/2014, Volume 22, Issue 5, pp. 055002 - 16
Journal Article
2013, Volume 117, Issue 28
Single-atom alloy (SAA) has been considered as an effective strategy to achieve excellent catalytic performance toward heterogeneous hydrogenation. We have... 
H-2 Dissociation | Finding Saddle-Points | Naturvetenskap | Energy | Physical Chemistry | Kemi | Noble | Alloys | Natural Sciences | Fysikalisk kemi | Chemical Sciences | Sites
Publication
2014, Volume 16, Issue 18
Publication
9/2014, Springer Undergraduate Mathematics Series, ISBN 1447164180
We derive, using critical points and the Hessian, a method of locating local maxima, local minima and saddle points of a real-valued function defined on an open... 
Local Minima | Second-order Partial Derivatives | Saddle Point Detection | Negative Diagonal Entries | Finding Local Maxima
Book Chapter
Communications in nonlinear science & numerical simulation, ISSN 1007-5704, 05/2016, Volume 34, pp. 23 - 37
•Develop a new method for finding zeros of nonlinear vector functions•Extend the method to find stability boundary conditions•Compute zeros of challenging... 
Generalized cell mapping | Parallel computing | Zeros finding | Subdivision | Stability boundary | Simple cell mapping | Stabilityboundary | Mathematics, Interdisciplinary Applications | Physical Sciences | Physics, Fluids & Plasmas | Technology | Physics, Mathematical | Mechanics | Mathematics | Mathematics, Applied | Physics | Science & Technology
Journal Article
With advancements in computer technology and processing power, the ability to examine chemical systems using theory continues to be more practicable. Using ab... 
Transition state finding | Hydrogen diffusion | Alchemical derivatives | Nudged elastic band | Rational compound design
Dissertation
Journal Article
Molecular simulation, ISSN 0892-7022, 07/2016, Volume 42, Issue 10, pp. 846 - 854
Enhanced sampling is an essential and powerful tool to study complex biochemical processes, notably macromolecular conformational change and chemical... 
path finding | Enhanced sampling | enzyme reactions | rare events | Physical Sciences | Chemistry | Physics, Atomic, Molecular & Chemical | Chemistry, Physical | Physics | Science & Technology
Journal Article
Differential equations and dynamical systems, ISSN 0971-3514, 1/2011, Volume 19, Issue 1, pp. 63 - 86
This article carries out a comparative study of zero-finding neural networks for nonlinear functions. By taking the view that artificial recurrent neural nets... 
Neural networks | Mathematics, general | Mathematics | Engineering, general | Control theory | Computer Science, general | Trajectory following methods | Control Liapunov function | Basins of attraction | Zero finding algorithm | Usage | Basins (Geology) | Algorithms | Analysis | Differential equations
Journal Article
Proceedings of the International Symposium on biocomputing, 02/2010, pp. 1 - 7
The main goal of the motif finding problem is to detect novel, over-represented unknown signals in a set of sequences. Popular algorithms like Expectation... 
motif finding | expectation maximization | refinement | random projection | Expectation maximization | Refinement | Random projection | Motif finding
Conference Proceeding
Journal of global optimization, ISSN 0925-5001, 06/2013, Volume 56, Issue 2, pp. 459 - 487
Journal Article
Concurrency and computation, ISSN 1532-0626, 12/2011, Volume 23, Issue 17, pp. 2292 - 2304
SUMMARY We investigate the folding energy landscape for a given RNA sequence through Boltzmann ensemble (BE) sampling of RNA secondary structures. The ensemble... 
concurrent programming and distributed computing | Pilot‐Job abstraction | ncRNA gene finding | Simple API for Grid Applications (SAGA) | RNA folding energy landscape | Pilot-Job abstraction
Journal Article
International journal of steel structures, ISSN 2093-6311, 04/2014, Volume 14, Issue 1, pp. 83 - 102
The TCUD method (Kim and Lee, 2001) can minimize undesirable lateral displacements in cable bridge structures by including the unstrained lengths of the cable... 
Engineering | cable-stayed bridge | elastic catenary cable element | Materials Science, general | Civil Engineering | suspension bridge | shape-finding | initial shape | TCUD method | Structural Mechanics | initial force method | Technology | Construction & Building Technology | Engineering, Civil | Science & Technology | 토목공학
Journal Article
06/2018, ISBN 9789811304569
In the area of dynamics, finding equilibrium states of nonlinear systems, bifurcation and stability analysis of the system all lead to zero finding of the... 
Point-wise Solutions | Controller Parameter Space | Zero-finding Problem | Cell Mapping Method | Finding Zeros
Book Chapter
03/2009, ISBN 0470373172, 31
This chapter contains sections titled: One‐Dimensional Example Multidimensional Transition State Theory Finding Transition States Finding the Right Transition... 
calculating rates of chemical processes using transition state theory | finding the right transition states | multidimensional transition state theory
Book Chapter
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