Research

Research Statement

I am interested in four broad fields: OLED efficiency enhancement, surfactant molecular design, chemical vapor deposition in ambient environments, and DNA purification and cleanup.

Google Scholar

    I study the relationship between intermolecular forces and their macroscopic properties, particularly in polymeric materials via computational molecular dynamics.  I received the Master of Science degree from the University of Rochester in Chemical Engineering. I carried out independent research on the extraction of light from the organic light emitting diode (OLED) in the Prof. Ching W. Tang and Prof. Lewis J. Rothberg groups. This course of study included nanoparticle scattering, manipulation of dielectric constant in OLED device layers, and Lumerical finite-difference time-domain (FDTD) simulations.  The theoretical approaches in these works often employed the use of high performance computing.  

Books

1) G.F. Mongelli; "Molecular Dynamics Simulations: Key Operations in GROMACS" De Gruyter Berlin (2019).  Amazon

Papers

1) G.F. Mongelli, "OLED Device Review and A Summary of the Plasmonic Enhancement Thereof" Intl. Journ. of Chem., Math., and Phys. 3, 1 1-4 (2019).

2) G.F. Mongelli, "A Relatively Complete Description of the Outcoupling Limitation for Planar OLEDs" Intl. Journ. of Chem., Math., and Phys. 3, 1, 5-8 (2019).

3) G.F. Mongelli, "The Estimation of Enhanced Outcoupling for OLEDs with Isotropically Scattering Materials" Intl. Journ. of Chem., Math., and Phys. 3, 1 9-11 (2019).

4)  G.F. Mongelli, "An exact solution to Maxwell's equation for a Sphere applied to Silver Nanoparticles" Intl. Journ. of Chem., Math., and Phys. 3, 1 12-14 (2019).

5) G.F. Mongelli, "Characterization of the Scattering Properties of a Spherical Silver Nanoparticle via the Finite-Difference Time-Domain Method" Intl. Journ. of Chem., Math., and Phys. 3, 1 15-17 (2019).

6)  G.F. Mongelli, "The Albedo of Metallic Nanoparticles in Air as Computed from FDTD" Intl. Journ. of Chem., Math., and Phys. 3, 1 18-19 (2019).

7) G.F. Mongelli, “Maximizing the Intermediate Product for 3 CSTRs in Series” Research & Development in Materials Science vol. 5, Is. 5 p. 1-3 (2018). ISSN: 2576-8840.

8) G.F. Mongelli,  “Chemical Process Design for Manufacture of Xylene Isomers” Industrial Chemistry vol. 4, Is. 1, p. 10000131 (2018). ISSN: 2469-9764.

9)   G.F. Mongelli, “Challenges and Opportunities of Shale Gas Extraction via Hydraulic Fracturing” Research & Reviews: Journal of Material Sciences vol. 6, Is. 2 p. 117-133 (2018).  DOI: 10.4172/2321-6212.1000223

10)  G.F. Mongelli,  “Multi-Junction Solar Cells: Snapshots from the First Decade of the Twenty-First Century” Research & Development in Material Sciences vol. 4, Is. 1 pp 1-4 (2018). ISSN: 2576-8840.

11) G.F. Mongelli,  “The Free Energy of Solvation for N-Decane in Ethanol-Water Solutions” J. Material Sci. Eng. 6: 322 (2017).

12)  G.F. Mongelli, “Critical Polyalkane, Polyether, and Polysilicone Structure Difference: Consideration of Polymer Forces from theOPLS-AA Standpoint” J. Material Sci. Eng. 6: 1 (2017).

13)   G.F. Mongelli, “An approach to determining the permittivities of arbitrary materials and the internal quantum efficiency ofemitters” International Journal of Innovation Sciences and Research 6, 1: 955-9565 (2017).

14)   G.F. Mongelli, “Counting the relative number of hydrogen bonds in several alcohol-cosolvated systems” Journal of Materials Science and Engineering A 6-9, 9-10: 277-282 (2016) (2016). 

15)  G.F. Mongelli, “Surface Excess Free Energy: An Elaboration with Particular Insight for Use as a Predictor of Solvophilicity inMolecular Simulation” J. Material Sci. Eng. 6: 310 (2016).

16)  G.F. Mongelli, “Low Hanging Fruit in Computational Molecular Dynamics Simulations with the Published OPLS-AA Force Field” J. Material Sci. Eng. (2016).

17)   G.F. Mongelli, “The Surface Activity of Polymeric Materials as determined from Computational Simulation” Polymer 82 (2015).

Doctor of Philosophy thesis (proposed):

G.F. Mongelli, "Understanding the Relative Solvophilicity of Polyalkanes in Mixed Solvent Solutions and Implications for Polyether and Polysilicone Properties", Case Western Reserve University. 

Master of Science thesis:

G.F. Mongelli, "Studies of Silver Spheroidal Particles for the Improvement of OLED Light Extraction", University of Rochester. 2012

 Guy F. Mongelli_Master'sThesis.pdf

University of Rochester Library Link

Citing articles:

https://www.semanticscholar.org/paper/Major-Nuclear-Accidents-A-Review-Ch-raMouli/8910f0e21ce825b525aeb678caffc9c27e9854f6?p2df

UR Library Permalink

Polyethers and Polysilicones

I study the properties of various polymers in systems solvated by water and alcohols.  I correlate the bulk properties such as surface tension to fundamental intermolecular forces.  These materials are present in shampoo and shaving cream products and make up a thirty billion dollar global enterprise.  Investigating the relationships between molecular structure and properties will give us new insight. Additionally, these studies will give us new approaches to design materials that are cheaper or have unique mixtures of properties.  This work is sponsored by the National Science Foundation.  Advised by: Prof. Daniel J. Lacks.

Organic Light Emitting Diodes & Scattering Enhancement

I worked on increasing the efficiency of the OLED device in my master's thesis.  This work calculated the effects each of the optical phenomena on limiting the efficiency of the device from first principles.  This work was sponsored by the Department of Energy. Advised by: Prof. Ching Tang & Prof. Lewis Rothberg. CO 

My contribution is fourfold:

• Creation of a model of the OLED that approximates its out-coupling efficiency

• Estimation of the light scattering capability of a single scattering particle

• Proposition of a scattering layer material

• Simulation of the surface plasmon absorption modes of the cathode

Chemical Vapor Deposition

I studied the process variables such as initiator temperature and reactant flow rate on free radical polymerization mechanisms.  The specific system studied was methyl methacrylate initiated by t-butoxide.  Advised by: Prof. Mitchell Anthamatten Sponsor: 3M.

DNA Purification

This work looked to develop an approach to utilize the selective binding properties of gold nanoparticles for DNA filtration purposes in a high throughput post-PCR processing environment.  Silanization reactions of various materials including AHAP-TMS onto a borosilicate surface and subsequent annealing with citrate-stabilized gold nanoparticles was performed.  Sponsored by: Diffinity Genomics.