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1

Spectra analysis for macromolecular systems: Chain-length effects in polymer particles

Kazuhiko Fukui, Bobby G. Sumpter, Donald W. Noid, Chao Yang, Robert E. Tuzun

Journal:

Journal of Polymer Science Part B: Polymer Physics

Year:

2000

Language:

english

File:

PDF, 321 KB

english, 2000

2

Neural Network-Graph Theory Approach to the Prediction of the Physical Properties of Organic Compounds

Gakh, Andrei A., Gakh, Elena G., Sumpter, Bobby G., Noid, Donald W.

Journal:

Journal of Chemical Information and Modeling

Year:

1994

Language:

english

File:

PDF, 798 KB

english, 1994

3

Molecular Dynamics Investigation of the Relaxation Mechanism of Entangled Polymers after a Large Step Deformation

Xu, Wen-Sheng, Carrillo, Jan-Michael Y., Lam, Christopher N., Sumpter, Bobby G., Wang, Yangyang

Journal:

ACS Macro Letters

Year:

2018

Language:

english

File:

PDF, 2.29 MB

english, 2018

4

Bulk and Surface Morphologies of ABC Miktoarm Star Terpolymers Composed of PDMS, PI, and PMMA Arms

Chernyy, Sergey, Kirkensgaard, Jacob Judas Kain, Mahalik, Jyoti P., Kim, Hyeyoung, Arras, Matthias M. L., Kumar, Rajeev, Sumpter, Bobby G., Smith, Gregory S., Mortensen, Kell, Russell, Thomas P., Almd

Journal:

Year:

2018

Language:

english

File:

PDF, 6.12 MB

english, 2018

5

On the correspondence between classical and quantum mechanics in macromolecular systems: Too much classical chaos

Robert E. Tuzun, Bobby G. Sumpter, Donald W. Noid

Journal:

Macromolecular Theory and Simulations

Year:

1998

Language:

english

File:

PDF, 591 KB

english, 1998

6

An Efficient Algorithm for Calculating the Heat Capacity of a Large-Scale Molecular System

Chao Yang, Donald W. Noid, Bobby G. Sumpter, Danny C. Sorensen, Robert E. Tuzun

Journal:

Macromolecular Theory and Simulations

Year:

2001

Language:

english

File:

PDF, 125 KB

english, 2001

7

Theoretical Model for Nanoporous Carbon Supercapacitors

Jingsong Huang, Bobby G. Sumpter, Vincent Meunier

Journal:

Angewandte Chemie International Edition

Year:

2008

Language:

english

File:

PDF, 568 KB

english, 2008

8

Assessment of standard force field models against high-quality ab initio potential curves for prototypes of π–π, CH/π, and SH/π interactions

C. David Sherrill, Bobby G. Sumpter, Mutasem O. Sinnokrot, Michael S. Marshall, Edward G. Hohenstein, Ross C. Walker, Ian R. Gould

Journal:

Journal of Computational Chemistry

Year:

2009

Language:

english

File:

PDF, 639 KB

english, 2009

9

Semiclassical theory of group vibrations for linear polymer chains

Christopher E. Wozny, Bobby G. Sumpter, Donald W. Noid

Journal:

Macromolecular Theory and Simulations

Year:

1994

Language:

english

File:

PDF, 884 KB

english, 1994

10

Estimation of the properties of hydrofluorocarbons by computer neural networks

Andrei A. Gakh, Elena G. Gakh, Bobby G. Sumpter, Donald W. Noid, Lee D. Trowbridge, David A. Harkins

Journal:

Journal of Fluorine Chemistry

Year:

1995

Language:

english

File:

PDF, 371 KB

english, 1995

11

Density-functional approaches to noncovalent interactions: A comparison of dispersion corrections (DFT-D), exchange-hole dipole moment (XDM) theory, and specialized functionals

Burns, Lori A., Mayagoitia, Álvaro Vázquez-, Sumpter, Bobby G., Sherrill, C. David

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 786 KB

english, 2011

12

Continuum methods of mechanics as a simplified approach to structural engineering of nanostructures

Sohlberg, Karl, Sumpter, Bobby G, Tuzun, Robert E, Noid, Donald W

Journal:

Year:

1998

Language:

english

File:

PDF, 250 KB

english, 1998

13

Dynamics of flow inside carbon nanotubes

Tuzun, Robert E, Noid, Donald W, Sumpter, Bobby G, Merkle, Ralph C

Journal:

Year:

1997

Language:

english

File:

PDF, 288 KB

english, 1997

14

Morphologies of block copolymers composed of charged and neutral blocks

Wang, Xiaojun, Goswami, Monojoy, Kumar, Rajeev, G. Sumpter, Bobby, Mays, Jimmy

Journal:

Year:

2012

Language:

english

File:

PDF, 1.89 MB

english, 2012

15

Dynamics of fluid flow inside carbon nanotubes

Tuzun, Robert E, Noid, Donald W, Sumpter, Bobby G, Merkle, Ralph C

Journal:

Year:

1996

Language:

english

File:

PDF, 313 KB

english, 1996

16

Molecular Dynamics Simulations of Graphene Oxide Frameworks

Nicolaï, Adrien, Zhu, Pan, Sumpter, Bobby G., Meunier, Vincent

Journal:

Journal of Chemical Theory and Computation

Year:

2013

Language:

english

File:

PDF, 6.28 MB

english, 2013

17

On the importance of quantum mechanics for nanotechnology

Noid, Donald W, Tuzun, Robert E, Sumpter, Bobby G

Journal:

Year:

1997

Language:

english

File:

PDF, 157 KB

english, 1997

18

Quantum Transport in Graphene Nanonetworks

Botello-Méndez, Andrés R., Cruz-Silva, Eduardo, Romo-Herrera, José M., López-Urías, Florentino, Terrones, Mauricio, Sumpter, Bobby G., Terrones, Humberto, Charlier, Jean-Christophe, Meunier, Vinc

Journal:

Year:

2011

Language:

english

File:

PDF, 4.52 MB

english, 2011

19

The isotopic effects of deuteration on optoelectronic properties of conducting polymers

Shao, Ming, Keum, Jong, Chen, Jihua, He, Youjun, Chen, Wei, Browning, James F., Jakowski, Jacek, Sumpter, Bobby G., Ivanov, Ilia N., Ma, Ying-Zhong, Rouleau, Christopher M., Smith, Sean C., Geohegan,

Journal:

Nature Communications

Year:

2014

Language:

english

File:

PDF, 1.19 MB

english, 2014

20

Structure and Bonding between an Aryl Group and Metal Surfaces

Jiang, De-en, Sumpter, Bobby G., Dai, Sheng

Journal:

Journal of the American Chemical Society

Year:

2006

Language:

english

File:

PDF, 92 KB

english, 2006

21

Theoretical Predictions of Freestanding Honeycomb Sheets of Cadmium Chalcogenides

Zhou, Jia, Huang, Jingsong, Sumpter, Bobby G., Kent, Paul R. C., Xie, Yu, Terrones, Humberto, Smith, Sean C.

Journal:

The Journal of Physical Chemistry C

Year:

2014

Language:

english

File:

PDF, 3.84 MB

english, 2014

22

Enhanced Phase Segregation Induced by Dipolar Interactions in Polymer Blends

Kumar, Rajeev, Sumpter, Bobby G., Muthukumar, M.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.02 MB

english, 2014

23

Density-fitted singles and doubles coupled cluster on graphics processing units

DePrince,, A. Eugene, Kennedy, Matthew R., Sumpter, Bobby G., Sherrill, C. David

Journal:

Molecular Physics

Year:

2014

Language:

english

File:

PDF, 662 KB

english, 2014

24

Nonvolatile Memory Elements Based on the Intercalation of Organic Molecules Inside Carbon Nanotubes

Meunier, Vincent, Kalinin, Sergei V., Sumpter, Bobby G.

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 498 KB

english, 2007

25

Symplectic integrators for large scale molecular dynamics simulations: A comparison of several explicit methods

Gray, Stephen K., Noid, Donald W., Sumpter, Bobby G.

Journal:

The Journal of Chemical Physics

Year:

1994

Language:

english

File:

PDF, 1.22 MB

english, 1994

26

Computational Studies, Nanotechnology, and Solution Thermodynamics of Polymer Systems || Polymer Solutions at High Pressures: Pressure-Induced Miscibility and Phase Separation in Near-critical and Supercritical Fluids

Dadmun, M. D., Van Hook, W. Alexander, Noid, Donald W., Melnichenko, Yuri B., Sumpter, Bobby G.

Year:

2002

Language:

english

File:

PDF, 586 KB

english, 2002

27

Docking envelopes for the assembly of molecular bearings

Tuzun, Robert E, Sohlberg, Karl, Noid, Donald W, Sumpter, Bobby G

Journal:

Year:

1998

Language:

english

File:

PDF, 663 KB

english, 1998

28

Big–deep–smart data in imaging for guiding materials design

Kalinin, Sergei V., Sumpter, Bobby G., Archibald, Richard K.

Journal:

Nature Materials

Year:

2015

Language:

english

File:

PDF, 716 KB

english, 2015

29

Surfactant-Mediated Polyelectrolyte Self-Assembly in a Polyelectrolyte–Surfactant Complex

Goswami, Monojoy, Borreguero, Jose M., Pincus, Philip A., Sumpter, Bobby G.

Journal:

Year:

2015

Language:

english

File:

PDF, 2.43 MB

english, 2015

30

Ultrathin nanosheets of CrSiTe 3 : a semiconducting two-dimensional ferromagnetic material

Lin, Ming-Wei, Zhuang, Houlong L., Yan, Jiaqiang, Ward, Thomas Zac, Puretzky, Alexander A., Rouleau, Christopher M., Gai, Zheng, Liang, Liangbo, Meunier, Vincent, Sumpter, Bobby G., Ganesh, Panchapake

Journal:

Journal of Materials Chemistry C

Year:

2016

Language:

english

File:

PDF, 2.92 MB

english, 2016

31

Amidine-Functionalized Poly(2-vinyl-4,4-dimethylazlactone) for Selective and Efficient CO 2 Fixing

Barkakaty, Balaka, Browning, Katie L., Sumpter, Bobby, Uhrig, David, Karpisova, Ivana, Harman, Kevin W., Ivanov, Ilia, Hensley, Dale K., Messman, Jamie M., Kilbey, S. Michael, Lokitz, Bradley S.

Journal:

Year:

2016

Language:

english

File:

PDF, 1.74 MB

english, 2016

32

Anisotropic Electron-Photon and Electron-Phonon Interactions in Black Phosphorus

Ling, Xi, Huang, Shengxi, Hasdeo, Eddwi Hesky, Liang, Liangbo, Parkin, William Murphy, Tatsumi, Yuki, Nugraha, A., Puretzky, Alexander A., Masih Das, Paul, Sumpter, Bobby G., Geohegan, David, Kong, Ji

Journal:

Year:

2016

Language:

english

File:

PDF, 2.78 MB

english, 2016

33

Patterning: Atomic-Level Sculpting of Crystalline Oxides: Toward Bulk Nanofabrication with Single Atomic Plane Precision (Small 44/2015)

Jesse, Stephen, He, Qian, Lupini, Andrew R., Leonard, Donovan N., Oxley, Mark P., Ovchinnikov, Oleg, Unocic, Raymond R., Tselev, Alexander, Fuentes-Cabrera, Miguel, Sumpter, Bobby G., Pennycook, Steph

Journal:

Year:

2015

File:

PDF, 7.63 MB

2015

34

Directing Matter: Towards Atomic Scale 3D Nanofabrication

Jesse, Stephen, Borisevich, Albina Y., Fowlkes, Jason D., Lupini, Andrew R., Rack, Philip D., Unocic, Raymond R., Sumpter, Bobby G., Kalinin, Sergei V., Belianinov, Alex, Ovchinnikova, Olga S.

Journal:

Year:

2016

Language:

english

File:

PDF, 5.48 MB

english, 2016

35

Helical Poly(5-alkyl-2,3-thiophene)s: Controlled Synthesis and Structure Characterization

Zhang, Hong-Hai, Ma, Chuanxu, Bonnesen, Peter V., Zhu, Jiahua, Sumpter, Bobby G., Carrillo, Jan-Michael Y., Yin, Panchao, Wang, Yangyang, Li, An-Ping, Hong, Kunlun

Journal:

Year:

2016

Language:

english

File:

PDF, 2.30 MB

english, 2016

36

Supramolecular polymerization of a prebiotic nucleoside provides insights into the creation of sequence-controlled polymers

Wang, Jun, Bonnesen, Peter V., Rangel, E., Vallejo, E., Sanchez-Castillo, Ariadna, James Cleaves II, H., Baddorf, Arthur P., Sumpter, Bobby G., Pan, Minghu, Maksymovych, Petro, Fuentes-Cabrera, Miguel

Journal:

Scientific Reports

Year:

2016

Language:

english

File:

PDF, 1.42 MB

english, 2016

37

Low-Frequency Shear and Layer-Breathing Modes in Raman Scattering of Two-Dimensional Materials

Liang, Liangbo, Zhang, Jun, Sumpter, Bobby G., Tan, Qinghai, Tan, Ping-Heng, Meunier, Vincent

Journal:

Year:

2017

Language:

english

File:

PDF, 10.31 MB

english, 2017

38

Multi-Purposed Ar Gas Cluster Ion Beam Processing For Graphene Engineering

Kim, Songkil, Ievlev, Anton V., Jakowski, Jacek, Vlassiouk, Ivan V., Sang, Xiahan, Brown, Chance, Dyck, Ondrej, Unocic, Raymond R., Kalinin, Sergei V., Belianinov, Alex, Sumpter, Bobby G., Jesse, Step

Journal:

Year:

2018

Language:

english

File:

PDF, 6.11 MB

english, 2018

39

Modeling solvent evaporation during thin film formation in phase separating polymer mixtures

Cummings, John, Lowengrub, John, Sumpter, Bobby G, Wise, Steven, Kumar, Rajeev

Journal:

Year:

2018

Language:

english

File:

PDF, 2.29 MB

english, 2018

40

Theory and Simulation of Attractive Nanoparticle Transport in Polymer Melts

Yamamoto, Umi, Carrillo, Jan-Michael Y., Bocharova, Vera, Sokolov, Alexei P., Sumpter, Bobby G., Schweizer, Kenneth S.

Journal:

Year:

2018

Language:

english

File:

PDF, 1.95 MB

english, 2018

41

Radical Chemistry and Reaction Mechanisms of Propane Oxidative Dehydrogenation over Hexagonal Boron Nitride Catalysts

Zhang, Xuanyu, You, Rui, Wei, Zeyue, Jiang, Xiao, Yang, Jiuzhong, Pan, Yang, Wu, Peiwen, Jia, Qingdong, Bao, Zhenghong, Bai, Lei, Jin, Mingzhou, Sumpter, Bobby, Fung, Victor, Huang, Weixin, Wu, Zili

Journal:

Angewandte Chemie International Edition

Year:

2020

Language:

english

File:

PDF, 1.20 MB

english, 2020

42

Nonadiabatic Effects on Defect Diffusion in Silicon-Doped Nanographenes

Lingerfelt, David B., Yu, Tao, Yoshimura, Anthony, Ganesh, Panchapakesan, Jakowski, Jacek, Sumpter, Bobby G.

Journal:

Year:

2021

File:

PDF, 1.69 MB

2021

43

Treatment of multibody interactions in molecular simulations of systems with general bond networks

Tuzun, Robert E., Noid, Donald W., Sumpter, Bobby G.

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 189 KB

english, 1997

44

Efficient treatment of out-of-plane bend and improper torsion interactions in MM2, MM3, and MM4 molecular mechanics calculations

Tuzun, Robert E., Noid, Donald W., Sumpter, Bobby G.

Journal:

Journal of Computational Chemistry

Year:

1997

Language:

english

File:

PDF, 152 KB

english, 1997

45

Computation of internal coordinates, derivatives, and gradient expressions: torsion and improper torsion

Tuzun, Robert E., Noid, Donald W., Sumpter, Bobby G.

Journal:

Journal of Computational Chemistry

Year:

2000

Language:

english

File:

PDF, 190 KB

english, 2000

46

Gas atomization of polymers. II. Computational neural network modeling

Joshua U. Otaigbe, Donald W. Noid, Bobby Sumpter

Journal:

Advances in Polymer Technology

Year:

1998

Language:

english

File:

PDF, 254 KB

english, 1998

47

Molecular dynamics simulation of the thermal properties of nano-scale polymer particles

Kazuhiko Fukui, Bobby G. Sumpter, Mike D. Barnes, Donald W. Noid, Joshua U. Otaigbe

Journal:

Macromolecular Theory and Simulations

Year:

1999

Language:

english

File:

PDF, 264 KB

english, 1999

48

Calculating the density of states for large-scale molecular systems

Chao Yang, Kazuhiko Fukui, Bobby G. Sumpter, Donald W. Noid, Robert E. Tuzun

Journal:

Macromolecular Theory and Simulations

Year:

2000

Language:

english

File:

PDF, 86 KB

english, 2000

49

Normal Coordinate Analysis for Polymer Systems: Capabilities and New Opportunities

Robert E. Tuzun, Donald W. Noid, Bobby G. Sumpter, Chao Yang

Journal:

Macromolecular Theory and Simulations

Year:

2002

Language:

english

File:

PDF, 8.17 MB

english, 2002

50

The Role of Sulfur in the Synthesis of Novel Carbon Morphologies: From Covalent Y-Junctions to Sea-Urchin-Like Structures

Jose´ M. Romo-Herrera, David A. Cullen, Eduardo Cruz-Silva, Daniel Ramírez, Bobby G. Sumpter, V. Meunier, Humberto Terrones, David J. Smith, Mauricio Terrones

Journal:

Advanced Functional Materials

Year:

2009

Language:

english

File:

PDF, 1.36 MB

english, 2009