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51

Joule-Thomson Inversion Curves by Molecular Simulation

Colina, Coray, Müller, Erich A.

Journal:

Molecular Simulation

Year:

1997

Language:

english

File:

PDF, 422 KB

english, 1997

52

Responsive polymer conformation and resulting permeability of clay–polymer nanocomposites

Kim, Sungho, Palomino, Angelica M., Colina, Coray M.

Journal:

Molecular Simulation

Year:

2012

Language:

english

File:

PDF, 539 KB

english, 2012

53

Analysis of force fields and BET theory for polymers of intrinsic microporosity

Hart, Kyle E., Abbott, Lauren J., Colina, Coray M.

Journal:

Molecular Simulation

Year:

2013

Language:

english

File:

PDF, 307 KB

english, 2013

54

The Depletion Attraction between Pairs of Colloid Particles in Polymer Solution

Striolo, Alberto, Colina, Coray M., Gubbins, Keith E., Elvassore, Nicola, Lue, Leo

Journal:

Molecular Simulation

Year:

2004

Language:

english

File:

PDF, 935 KB

english, 2004

55

Morphology and molecular bridging in comb- and star-shaped diblock copolymers

Hart, Kyle E., Abbott, Lauren J., Lísal, Martin, Colina, Coray M.

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 2.78 MB

english, 2014

56

Nanoporous hypercrosslinked polymers containing Tg enhancing comonomers

Zhou, Xu, Huang, Jing, Barr, Kevin W., Lin, Zhixing, Maya, Fernando, Abbott, Lauren J., Colina, Coray M., Svec, Frantisek, Turner, S. Richard

Journal:

Year:

2015

Language:

english

File:

PDF, 1.61 MB

english, 2015

57

In Silico Determination of Gas Permeabilities by Non-Equilibrium Molecular Dynamics: CO2 and He through PIM-1

Frentrup, Hendrik, Hart, Kyle, Colina, Coray, Müller, Erich

Journal:

Year:

2015

Language:

english

File:

PDF, 2.85 MB

english, 2015

58

Pore size tuning of poly(styrene-co-vinylbenzyl chloride-co-divinylbenzene) hypercrosslinked polymers: Insights from molecular simulations

Kupgan, Grit, Liyana-Arachchi, Thilanga P., Colina, Coray M.

Journal:

Year:

2016

Language:

english

File:

PDF, 3.37 MB

english, 2016

59

Ultrathin Molecular-Layer-by-Layer Polyamide Membranes: Insights from Atomistic Molecular Simulations

Liyana-Arachchi, Thilanga P., Sturnfield, James F., Colina, Coray M.

Journal:

Journal of Physical Chemistry B

Year:

2016

Language:

english

File:

PDF, 3.44 MB

english, 2016

60

Introduction to Scientific and Technical Computing || Libraries for Linear Algebra

Willmore, Frank T., Jankowski, Eric, Colina, Coray

Year:

2017

Language:

english

File:

PDF, 519 KB

english, 2017

61

Introduction to Scientific and Technical Computing || Getting Started with Python 3

Willmore, Frank T., Jankowski, Eric, Colina, Coray

Year:

2017

Language:

english

File:

PDF, 432 KB

english, 2017

62

Introduction to Scientific and Technical Computing || Introduction to High-Performance Computing Systems

Willmore, Frank T., Jankowski, Eric, Colina, Coray

Year:

2017

Language:

english

File:

PDF, 678 KB

english, 2017

63

Introduction to Scientific and Technical Computing || Introduction to Parallel Programming with MPI

Willmore, Frank T., Jankowski, Eric, Colina, Coray

Year:

2017

Language:

english

File:

PDF, 479 KB

english, 2017

64

Introduction to Scientific and Technical Computing || Testing and Verification

Willmore, Frank T., Jankowski, Eric, Colina, Coray

Year:

2017

Language:

english

File:

PDF, 611 KB

english, 2017

65

Introduction to Scientific and Technical Computing || Parallel Computing with Accelerators

Willmore, Frank T., Jankowski, Eric, Colina, Coray

Year:

2017

Language:

english

File:

PDF, 1.87 MB

english, 2017

66

Introduction to Scientific and Technical Computing || Operating Systems Overview

Willmore, Frank T., Jankowski, Eric, Colina, Coray

Year:

2017

Language:

english

File:

PDF, 628 KB

english, 2017

67

Introduction to Scientific and Technical Computing || Machine Numbers and the IEEE 754 Floating-Point Standard

Willmore, Frank T., Jankowski, Eric, Colina, Coray

Year:

2017

Language:

english

File:

PDF, 498 KB

english, 2017

68

pysimm: A python package for simulation of molecular systems

Fortunato, Michael E., Colina, Coray M.

Journal:

Year:

2017

Language:

english

File:

PDF, 1.07 MB

english, 2017

69

Flow and aggregation of rod-like proteins in slit and cylindrical pores coated with polymer brushes: an insight from dissipative particle dynamics

Posel, Zbyšek, Svoboda, Martin, Colina, Coray M., Lísal, Martin

Journal:

Year:

2017

Language:

english

File:

PDF, 5.13 MB

english, 2017

70

Correction to “Ionomers of Intrinsic Microporosity: In Silico Development of Ionic-Functionalized Gas-Separation Membranes”

Hart, Kyle E., Colina, Coray M.

Journal:

Year:

2017

Language:

english

File:

PDF, 177 KB

english, 2017

71

NLDFT Pore Size Distribution in Amorphous Microporous Materials

Kupgan, Grit, Liyana-Arachchi, Thilanga P., Colina, Coray M.

Journal:

Year:

2017

Language:

english

File:

PDF, 4.03 MB

english, 2017

72

Taking Advantage of Diversity within the Classroom

Goethe, Emily V., Colina, Coray M.

Journal:

Journal of Chemical Education

Year:

2017

Language:

english

File:

PDF, 464 KB

english, 2017

73

Update 0.2 to “pysimm: A python package for simulation of molecular systems”

Demidov, Alexander G., Fortunato, Michael E., Colina, Coray M.

Journal:

Year:

2018

Language:

english

File:

PDF, 1.05 MB

english, 2018

74

Ionic-Functionalized Polymers of Intrinsic Microporosity for Gas Separation Applications

Rukmani, Shalini J., Liyana-Arachchi, Thilanga P., Hart, Kyle E., Colina, Coray M.

Journal:

Year:

2018

Language:

english

File:

PDF, 2.83 MB

english, 2018

75

The synthesis, chain-packing simulation and long-term gas permeability of highly selective spirobifluorene-based polymers of intrinsic microporosity

Bezzu, C. Grazia, Carta, Mariolino, Ferrari, Maria-Chiara, Jansen, Johannes C., Monteleone, Marcello, Esposito, Elisa, Fuoco, Alessio, Hart, Kyle, Liyana-Arachchi, T. P., Colina, Coray M., McKeown, Ne

Journal:

Journal of Materials Chemistry A

Year:

2018

Language:

english

File:

PDF, 1.64 MB

english, 2018

76

Uncertainties on predictions of thermo-physical properties of thermoplastic polymers via molecular dynamics

Alzate-Vargas, Lorena, Fortunato, Michael, Haley, Benjamin P, Li, Chunyu, Colina, Coray, Strachan, Alejandro

Journal:

Modelling and Simulation in Materials Science and Engineering

Year:

2018

Language:

english

File:

PDF, 853 KB

english, 2018

77

Next generation protein-polymer conjugates

Russell, Alan J., Baker, Stefanie L., Colina, Coray M., Figg, C. Adrian, Kaar, Joel L., Matyjaszewski, Krzysztof, Simakova, Antonina, Sumerlin, Brent S.

Journal:

Year:

2018

Language:

english

File:

PDF, 1.87 MB

english, 2018

78

Intramolecular interactions of conjugated polymers mimic molecular chaperones to stabilize protein-polymer conjugates

Baker, Stefanie L, Munasinghe, Aravinda, Murata, Hironobu, Lin, Ping, Matyjaszewski, Krzysztof, Colina, Coray M., Russell, Alan J

Journal:

Biomacromolecules

Year:

2018

Language:

english

File:

PDF, 3.15 MB

english, 2018

79

PLASTICIZATION BEHAVIOR IN POLYMERS OF INTRINSIC MICROPOROSITY (PIM-1): A SIMULATION STUDY FROM COMBINED MONTE CARLO AND MOLECULAR DYNAMICS

Kupgan, Grit, Demidov, Alexander G., Colina, Coray M.

Journal:

Journal of Membrane Science

Year:

2018

Language:

english

File:

PDF, 1.45 MB

english, 2018

80

A molecular dynamics study of water-soluble polymers: analysis of force fields from atomistic simulations

Rukmani, Shalini J., Kupgan, Grit, Anstine, Dylan M., Colina, Coray M.

Journal:

Molecular Simulation

Year:

2018

Language:

english

File:

PDF, 3.39 MB

english, 2018

81

Molecular Insight into the Protein–Polymer Interactions in N-Terminal PEGylated Bovine Serum Albumin

Munasinghe, Aravinda, Mathavan, Akash, Mathavan, Akshay, Lin, Ping, Colina, Coray M.

Journal:

Journal of Physical Chemistry B

Year:

2019

File:

PDF, 4.10 MB

2019

82

Molecular simulation of protein–polymer conjugates

Lin, Ping, Colina, Coray M

Journal:

Current Opinion in Chemical Engineering

Year:

2019

Language:

english

File:

PDF, 1.23 MB

english, 2019

83

Molecular simulation of protein–polymer conjugates

Lin, Ping, Colina, Coray M

Journal:

Current Opinion in Chemical Engineering

Year:

2019

File:

PDF, 1.23 MB

2019

84

Molecular Modeling of Complex Cross-Linked Networks of PEGDA Nanogels

Rukmani, Shalini J., Lin, Ping, Andrew, Jennifer S., Colina, Coray M.

Journal:

Journal of Physical Chemistry B

Year:

2019

File:

PDF, 3.58 MB

2019

85

Rapid Prediction of Adsorption Isotherms of a Diverse Range of Molecules in Hyper-Crosslinked Polymers

Tang, Dai, Kupgan, Grit, Colina, Coray M., Sholl, David S.

Journal:

The Journal of Physical Chemistry C

Year:

2019

Language:

english

File:

PDF, 2.08 MB

english, 2019

86

PEGylation within a confined hydrophobic cavity of a protein

Munasinghe, Aravinda, Mathavan, Akshay, Mathavan, Akash, Lin, Ping, Colina, Coray M.

Journal:

Physical Chemistry Chemical Physics

Year:

2019

Language:

english

File:

PDF, 3.94 MB

english, 2019

87

PEGylation within a confined hydrophobic cavity of a protein

Munasinghe, Aravinda, Mathavan, Akshay, Mathavan, Akash, Lin, Ping, Colina, Coray M.

Journal:

Physical Chemistry Chemical Physics

Year:

2019

File:

PDF, 3.94 MB

2019

88

Screening PIM-1 performance as a membrane for binary mixture separation of gaseous organic compounds

Anstine, Dylan M., Demidov, Alexander G., Mendez, Nicholas F., Morgan, Wesley J., Colina, Coray M.

Journal:

Journal of Membrane Science

Year:

2019

File:

PDF, 1.27 MB

2019

89

An Insight into Structural and Mechanical Properties of Ideal‐Networked Poly(Ethylene Glycol)–Peptide Hydrogels from Molecular Dynamics Simulations

J. Rukmani, Shalini, Anstine, Dylan M., Munasinghe, Aravinda, Colina, Coray M.

Journal:

Macromolecular Chemistry and Physics

Year:

2020

File:

PDF, 2.49 MB

2020

90

Effects of an atomistic modeling approach on predicted mechanical properties of glassy polymers via molecular dynamics

Anstine, Dylan M, Strachan, Alejandro, Colina, Coray M

Journal:

Modelling and Simulation in Materials Science and Engineering

Year:

2020

File:

PDF, 1.31 MB

2020

91

Sulfonyl PIM â1: A diverse separation membrane with dilation resistance

Anstine, Dylan M., Mendez, Nicholas F., Colina, Coray M.

Journal:

Year:

2020

File:

PDF, 1.54 MB

2020

92

Sorptionâinduced polymer rearrangement: approaches from molecular modeling

Anstine, Dylan M, Colina, Coray M

Journal:

Polymer International

Year:

2020

File:

PDF, 564 KB

2020