hendon materials simulation

hms oregon


materials theory and high performance computing

Research Overview

Chemistry and computers.



Defects and doping in metal-organic frameworks
Metal-organic frameworks (MOFs) are a class of solid-state porous materials composed of inorganic clusters spatially separated by organic ligands. The combination of compositional and topological diversity enables unprecedented access to physical properties only arising from the unique MOF composition-function relationship. As a result these hybrid materials have garnered increased interest over the past two decades due to their potential applications in gas storage and separation, catalysis, sensors, and as battery materials. Like most semiconductors, the bulk material derives its properties from defects. These defects come in many forms ranging from local redox events to long range diminished crystallographic order. Essentially every member of the group is working to better understand the emergence and properties of defects in MOFs.


Electron energies and their applications in energy storage and catalysis
The ionization potential/workfunction and electron affinity are two instructive materials properties that essentially determine all chemical reactivity. Predictions of reactivity can be made with knowledge of the alignment of valence/occupied and conduction/unoccupied orbitals. These values are readily obtained from quantum chemical simulations. Three general types of band alignments are possible; Type I where one material's bands sit mid gap relative to a neighbouring material, Type II where charge transfer from one material to another is enabled by the input of some form of energy, and Type III where a material will spontaneously reduce another.


Regressions and machine learning
Computers are extremely good at finding dependencies and relationships in data. In order to to so, we usually first teach the computer some simple concepts, and then expose it to uncharted territory to begin to make predictions. Despite these techniques existing for 50 years, the application of these techniques chemistry is only fairly recent. Using a mixture of off-the-shelf and proprietary machine learning models we are able to predict chemical properties of small molecules, MOFs, and even bridge the difficult gap between human perception of a property and the underlaying chemistry that gave rise to our perception of that property.






Active group members


Christopher H. Hendon

Assistant Professor
BSc. Adv. Hons., PhD
Monash, Bath, MIT
Curriculum Vitae, Scholar

Thomas W. Kasel

Graduate student
B.S. Chemistry
Cal. Lutheran
Scholar

Jenna L. Mancuso

Graduate student
B.S. Poly. Sci. & Eng.
Case Western Reserve
Scholar

Austin M. Mroz

Graduate student
B.S. Mech. Eng.
Rose-Hulman
Scholar

Khoa N. Le

Graduate student
B.S. Chemistry
Western Washington
Scholar

Lillian Payne

Undergraduate student
Chemistry Major
Oregon
Scholar

Min Chieh (Jack) Yang

Undergraduate student
Chemistry Major
Oregon
Scholar

Audra McNamee

Undergraduate student
Computer Science Major
Oregon
Scholar

Lya Carini

Undergraduate student
Chemistry Major
Oregon
Scholar

C. Chase Callahan

Undergraduate student
Chemistry Major
Oregon
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Interested in working with us?

The HMS Oregon group sits in 436 Lewis Integrative Sciences Building on the north east corner of campus. If space permits, we are always accepting motivated undergraduate researchers on either a volunteer or for-credit basis. Please get in touch with Prof. Hendon and swing by the group office to have a talk to them about what they are up to!

The University of Oregon is the premier R1 institution in the state of Oregon. All interested graduate students are strongly encouraged to apply through the University of Oregon Chemistry Department. HMS Oregon is always looking for talented graduate students. Contact Prof. Hendon via email for the group's dream, talk to the students for the group's reality.

Postdoctoral scholars are also encouraged to contact Prof. Hendon. Positions fluctuate depending on funding opportunities. At the moment HMS Oregon is unable to support postdoctoral scholars.

Coffee.

Prof. Hendon's interest in coffee began during his PhD, where he worked closely with Lesley and Maxwell Colonna-Dashwood (Colonna). Their early efforts lead to the publication of Water For Coffee (Version 2 coming in 2019), a chemistry handbook intended for the coffee community, as well as a peer reviewed article published in J. Agric. Food Chem. Water chemistry laid the foundation for Maxwell's 2014 World Barista Championship routine. Later, we studied how coffee fractures in a grinder - this study laid the foundation for Kyle Ramage's 2017 World Barista Championship routine.

Presently, Prof. Hendon collaborates internationally with coffee professionals and academics (COHOP collaboration) tackling fundamental problems in coffee. There is an ongoing effort to establish a coffee research laboratory at the University of Oregon, which will sit at the intersection of chemistry, physics, biology, psychology, and mathematics. If you want to hear more about this topic, or have some interesting anecdotes about coffee please email Prof. Hendon!

Contact and links


541-346-2637


Room 429
Department of Chemistry
1253 University of Oregon
Eugene, OR, 97403



Updated Summer 2019
Copyright C. H. Hendon