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How Fracking Can be Tough (and Yet Rewarding)
Description:
Current understanding suggests that the energy required to propagate a hydraulic fracture is largely a function of the viscous fluid pressure drop distributed along the fracture channel, while the contribution to the energy dissipation from the immediate vicinity of the fracture front, referred to as the fracture toughness (fracture energy), is ...
Creator:
Garagash, Dmitry (Dalhousie University)
Created:
2015-05-13
Contributed By:
University of Minnesota, Institute for Mathematics and its Applications.
Last Updated:
2018-06-19
How Fracking Can be Tough (and Yet Rewarding)
Synchronization Problems: From Geometry to Learning
Description:
We develop a geometric framework, based on the classical theory of fibre bundles, to characterize the cohomological nature of a large class of synchronization-type problems in the context of graph inference and combinatorial optimization. In this type of problems, the pairwise interaction between adjacent vertices in the graph is of a "non-s...
Creator:
Gao, Tingran (University of Chicago)
Created:
2018-05-24
Contributed By:
University of Minnesota, Institute for Mathematics and its Applications.
Last Updated:
2019-02-04
Synchronization Problems: From Geometry to Learning
Gröbner basis structure and decomposition of polynomial systems
Description:
A Gröbner basis for an ideal under an elimination order reflects much of thegeometric structure of the variety defined by the ideal. We discuss how thisrelationship can be used in decomposing polynomial systems (with or withoutparameters) and in primary decomposition of ideals. As an application, we showhow this technique can be used in designin...
Creator:
Gao, Shuhong (Clemson University)
Created:
2006-09-21
Contributed By:
University of Minnesota, Institute for Mathematics and its Applications.
Last Updated:
2018-06-19
Gröbner basis structure and decomposition of polynomial systems
Using Harmonic Measures to Reveal Source Locations Under Random Walks
Description:
Random walk on a graph is a Markov chain and thus is €˜memoryless' as the next node to visit depends only on the current node and not on the sequence of events thatpreceded it. With these properties, random walk and its many variations have been used in network routing to €˜randomize' the trafï¬ c pattern and hide the location of the data source...
Creator:
Gao, Jie (State University of New York, Stony Brook (SUNY))
Created:
2013-10-29
Contributed By:
University of Minnesota, Institute for Mathematics and its Applications.
Last Updated:
2018-06-19
Using Harmonic Measures to Reveal Source Locations Under Random Walks
Applications of combined QM/MM methods
Description:
In this tutorial, I will present a few specific applications in which the need for an explicit treatment of the electronic structure of the solute is particularly important and cannot be conveniently circumvented by developing a problem-specific force field. The examples include the computation of the pKa of organic acid in the electronically ex...
Creator:
Gao, Jiali (University of Minnesota, Twin Cities)
Created:
2008-12-07
Contributed By:
University of Minnesota, Institute for Mathematics and its Applications.
Last Updated:
2018-06-19
Applications of combined QM/MM methods
QM or MM? Development of a next-generation force field for chemical and biomolecular simulations
Description:
Traditionally, molecular dynamics and Monte Carlo simulations ofcondensed phase systems including biopolymers are carried out using molecular mechanics or force fields that describe intermolecular interactions. In fact, the formalism of these force fields for biomolecular simulatiosn was established in the 1960s. Although the computational accur...
Creator:
Gao, Jiali (University of Minnesota, Twin Cities)
Created:
2008-12-09
Contributed By:
University of Minnesota, Institute for Mathematics and its Applications.
Last Updated:
2018-06-19
QM or MM? Development of a next-generation force field for chemical and biomolecular simulations
Simulations of solvent effects using combined QM/MM methods
Description:
There are two main advantages of using a combined quantum mechanical and molecular mechanical (QM/MM) potential in molecular dynamics and Monte Carlo simulations. First, since only a small portion of the condensed phase system is treated by an explicit electronic structure method, combined QM/MM methods can be applied to large molecular systems ...
Creator:
Gao, Jiali (University of Minnesota, Twin Cities)
Created:
2008-12-07
Contributed By:
University of Minnesota, Institute for Mathematics and its Applications.
Last Updated:
2018-06-19
Simulations of solvent effects using combined QM/MM methods
The X-Pol potential: an explicit polarization quantum mechanical force field for condensed phase and protein dynamics
Description:
Molecular dynamics simulation has become a powerful tool for studying biochemical properties. At the heart of these calculations is the potential energy function that describes intermolecular interactions in the system, and often it is the accuracy of the potential energy surface that determines the reliability of simulation results. The current...
Creator:
Gao, Jiali (University of Minnesota, Twin Cities)
Created:
2009-01-15
Contributed By:
University of Minnesota, Institute for Mathematics and its Applications.
Last Updated:
2018-06-19
The X-Pol potential: an explicit polarization quantum mechanical force field for condensed phase and protein dynamics
Panel Discussion 2: Analytic and Computational Challenges in Ab-initio Through Continuum Modeling: Quantum Mechanics and Computational Chemistry
Creator:
Gao, Da (University of Minnesota, Twin Cities); Saad, Yousef (University of Minnesota, Twin Cities); Schultz, Peter A. (Sandia National Laboratories); Tadmor, Ellad B (University of Minnesota, Twin Cities); Tandia, Adama (Corning Incorporated)
Created:
2012-09-14
Contributed By:
University of Minnesota, Institute for Mathematics and its Applications.
Last Updated:
2018-06-19
Panel Discussion 2: Analytic and Computational Challenges in Ab-initio Through Continuum Modeling: Quantum Mechanics and Computational Chemistry
Now, Voyager
Description:
Now, Voyager. From the Warner Brothers film starring Bette Davis and Paul Henreid.
Creator:
Gannon, Kim; Steiner, Max
Created:
1942
Contributed By:
University of Minnesota Libraries, Special Collections and Rare Books.
Last Updated:
2018-11-28
Now, Voyager