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You searched for +publisher:"Georgia Tech" +contributor:("Sherrill, Charles D."). Showing records 1 – 6 of 6 total matches.

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Georgia Tech

1. Schieber, Matthew Cole. Optimizing computational kernels in quantum chemistry.

Degree: MS, Computational Science and Engineering, 2018, Georgia Tech

 Density fitting is a rank reduction technique popularly used in quantum chemistry in order to reduce the computational cost of evaluating, transforming, and processing the… (more)

Subjects/Keywords: Quantum chemistry; Parallel computing; High performance computing

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APA (6th Edition):

Schieber, M. C. (2018). Optimizing computational kernels in quantum chemistry. (Masters Thesis). Georgia Tech. Retrieved from http://hdl.handle.net/1853/59949

Chicago Manual of Style (16th Edition):

Schieber, Matthew Cole. “Optimizing computational kernels in quantum chemistry.” 2018. Masters Thesis, Georgia Tech. Accessed January 15, 2019. http://hdl.handle.net/1853/59949.

MLA Handbook (7th Edition):

Schieber, Matthew Cole. “Optimizing computational kernels in quantum chemistry.” 2018. Web. 15 Jan 2019.

Vancouver:

Schieber MC. Optimizing computational kernels in quantum chemistry. [Internet] [Masters thesis]. Georgia Tech; 2018. [cited 2019 Jan 15]. Available from: http://hdl.handle.net/1853/59949.

Council of Science Editors:

Schieber MC. Optimizing computational kernels in quantum chemistry. [Masters Thesis]. Georgia Tech; 2018. Available from: http://hdl.handle.net/1853/59949

2. Crowell, Vernon Dewayne. Excited states and vibrational spectroscopy of ice and adsorbed biomolecules.

Degree: MS, Chemistry and Biochemistry, 2014, Georgia Tech

 The photodesorption of water molecules from amorphous solid water (ASW) by 157-nm irradiation has been examined using resonance-enhanced multiphoton ionization (REMPI). The rotational temperature has… (more)

Subjects/Keywords: Water photodesorption

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APA (6th Edition):

Crowell, V. D. (2014). Excited states and vibrational spectroscopy of ice and adsorbed biomolecules. (Masters Thesis). Georgia Tech. Retrieved from http://hdl.handle.net/1853/53019

Chicago Manual of Style (16th Edition):

Crowell, Vernon Dewayne. “Excited states and vibrational spectroscopy of ice and adsorbed biomolecules.” 2014. Masters Thesis, Georgia Tech. Accessed January 15, 2019. http://hdl.handle.net/1853/53019.

MLA Handbook (7th Edition):

Crowell, Vernon Dewayne. “Excited states and vibrational spectroscopy of ice and adsorbed biomolecules.” 2014. Web. 15 Jan 2019.

Vancouver:

Crowell VD. Excited states and vibrational spectroscopy of ice and adsorbed biomolecules. [Internet] [Masters thesis]. Georgia Tech; 2014. [cited 2019 Jan 15]. Available from: http://hdl.handle.net/1853/53019.

Council of Science Editors:

Crowell VD. Excited states and vibrational spectroscopy of ice and adsorbed biomolecules. [Masters Thesis]. Georgia Tech; 2014. Available from: http://hdl.handle.net/1853/53019

3. Kennedy, Matthew R. Non-covalent interactions and their role in biological and catalytic chemistry.

Degree: PhD, Chemistry and Biochemistry, 2014, Georgia Tech

 The focus of this thesis is the question of how non-covalent interactions affect chemical systems' electronic and structural properties. Non-covalent interactions can exhibit a range… (more)

Subjects/Keywords: HKR; Co-salen; Non-covalent interactions; Hydrolytic kinetic resolution

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APA (6th Edition):

Kennedy, M. R. (2014). Non-covalent interactions and their role in biological and catalytic chemistry. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/53044

Chicago Manual of Style (16th Edition):

Kennedy, Matthew R. “Non-covalent interactions and their role in biological and catalytic chemistry.” 2014. Doctoral Dissertation, Georgia Tech. Accessed January 15, 2019. http://hdl.handle.net/1853/53044.

MLA Handbook (7th Edition):

Kennedy, Matthew R. “Non-covalent interactions and their role in biological and catalytic chemistry.” 2014. Web. 15 Jan 2019.

Vancouver:

Kennedy MR. Non-covalent interactions and their role in biological and catalytic chemistry. [Internet] [Doctoral dissertation]. Georgia Tech; 2014. [cited 2019 Jan 15]. Available from: http://hdl.handle.net/1853/53044.

Council of Science Editors:

Kennedy MR. Non-covalent interactions and their role in biological and catalytic chemistry. [Doctoral Dissertation]. Georgia Tech; 2014. Available from: http://hdl.handle.net/1853/53044

4. Pandey, Laxman. Theoretical studies of the structure-property relationships of hole- and electron-transport materials for organic photovoltaic applications.

Degree: PhD, Chemistry and Biochemistry, 2013, Georgia Tech

 Donor-acceptor and thiophene based π-conjugated molecules and polymers, along with fullerene derivatives, are extensively used active components in the photoactive layer of organic photovoltaic devices.… (more)

Subjects/Keywords: Organic photovoltaics; Organic solar cells; Donor-acceptor copolymers; DFT; Photovoltaic power generation; Organic electronics; Solar cells

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APA (6th Edition):

Pandey, L. (2013). Theoretical studies of the structure-property relationships of hole- and electron-transport materials for organic photovoltaic applications. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/48964

Chicago Manual of Style (16th Edition):

Pandey, Laxman. “Theoretical studies of the structure-property relationships of hole- and electron-transport materials for organic photovoltaic applications.” 2013. Doctoral Dissertation, Georgia Tech. Accessed January 15, 2019. http://hdl.handle.net/1853/48964.

MLA Handbook (7th Edition):

Pandey, Laxman. “Theoretical studies of the structure-property relationships of hole- and electron-transport materials for organic photovoltaic applications.” 2013. Web. 15 Jan 2019.

Vancouver:

Pandey L. Theoretical studies of the structure-property relationships of hole- and electron-transport materials for organic photovoltaic applications. [Internet] [Doctoral dissertation]. Georgia Tech; 2013. [cited 2019 Jan 15]. Available from: http://hdl.handle.net/1853/48964.

Council of Science Editors:

Pandey L. Theoretical studies of the structure-property relationships of hole- and electron-transport materials for organic photovoltaic applications. [Doctoral Dissertation]. Georgia Tech; 2013. Available from: http://hdl.handle.net/1853/48964

5. Hagy, Matthew Canby. Dynamical simulation of structured colloidal particles.

Degree: PhD, Chemistry and Biochemistry, 2013, Georgia Tech

 In this thesis, computer simulations are used to study the properties of new colloidal systems with structured interactions. These are pair interactions that include both… (more)

Subjects/Keywords: Colloids; Computer simulations; Dynamics; Correlation functions; Colloids; Molecular dynamics; Computer simulation

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APA (6th Edition):

Hagy, M. C. (2013). Dynamical simulation of structured colloidal particles. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/50328

Chicago Manual of Style (16th Edition):

Hagy, Matthew Canby. “Dynamical simulation of structured colloidal particles.” 2013. Doctoral Dissertation, Georgia Tech. Accessed January 15, 2019. http://hdl.handle.net/1853/50328.

MLA Handbook (7th Edition):

Hagy, Matthew Canby. “Dynamical simulation of structured colloidal particles.” 2013. Web. 15 Jan 2019.

Vancouver:

Hagy MC. Dynamical simulation of structured colloidal particles. [Internet] [Doctoral dissertation]. Georgia Tech; 2013. [cited 2019 Jan 15]. Available from: http://hdl.handle.net/1853/50328.

Council of Science Editors:

Hagy MC. Dynamical simulation of structured colloidal particles. [Doctoral Dissertation]. Georgia Tech; 2013. Available from: http://hdl.handle.net/1853/50328

6. March, William B. Multi-tree algorithms for computational statistics and phyiscs.

Degree: PhD, Computational Science and Engineering, 2013, Georgia Tech

 The Fast Multipole Method of Greengard and Rokhlin does the seemingly impossible: it approximates the quadratic scaling N-body problem in linear time. The key is… (more)

Subjects/Keywords: Multi-tree algorithms; N-point correlation functions; Hartree-Fock theory; Computer algorithms; Combinatorial analysis; Hartree-Fock approximation

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APA (6th Edition):

March, W. B. (2013). Multi-tree algorithms for computational statistics and phyiscs. (Doctoral Dissertation). Georgia Tech. Retrieved from http://hdl.handle.net/1853/49116

Chicago Manual of Style (16th Edition):

March, William B. “Multi-tree algorithms for computational statistics and phyiscs.” 2013. Doctoral Dissertation, Georgia Tech. Accessed January 15, 2019. http://hdl.handle.net/1853/49116.

MLA Handbook (7th Edition):

March, William B. “Multi-tree algorithms for computational statistics and phyiscs.” 2013. Web. 15 Jan 2019.

Vancouver:

March WB. Multi-tree algorithms for computational statistics and phyiscs. [Internet] [Doctoral dissertation]. Georgia Tech; 2013. [cited 2019 Jan 15]. Available from: http://hdl.handle.net/1853/49116.

Council of Science Editors:

March WB. Multi-tree algorithms for computational statistics and phyiscs. [Doctoral Dissertation]. Georgia Tech; 2013. Available from: http://hdl.handle.net/1853/49116

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