# preferredTitle
Director for Advanced Computing Enablement

# positions[].organizations[].label
Texas A&M High Performance Research Computing

# hrJobTitle
Director for Advanced Computing Enablement

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
5102 Atomic, Molecular And Optical Physics

# keywords[]
Carbon Fiber Reinforced Polymer Composites

# keywords[]
3403 Macromolecular And Materials Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
0306 Physical Chemistry (incl. Structural)

# keywords[]
0303 Macromolecular And Materials Chemistry

# keywords[]
0306 Physical Chemistry (incl. Structural)

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
3407 Theoretical And Computational Chemistry

# keywords[]
5102 Atomic, Molecular And Optical Physics

# keywords[]
0306 Physical Chemistry (incl. Structural)

# educationAndTraining[].organization.label
Texas A&M University - (College Station, Texas, United States)

# educationAndTraining[].organization.label
Humboldt State University - (Arcata, California, United States)

# educationAndTraining[].field
Chemistry, minor in Mathematics and Computer Information Systems

# publications[].label
The role of triplet states in the long wavelength absorption region of bromine nitrate

# publications[].label
Polyunsaturated dicarboxylate tethers connecting dimolybdenum redox and chromophoric centers: absorption spectra and electronic structures.

# publications[].label
Synthesis and cellular effects of cycloterpenals: cyclohexadienal-based activators of neurite outgrowth.

# publications[].label
Measuring the internal energies of species emitted from hypervelocity nanoprojectile impacts on surfaces using recalibrated benzylpyridinium probe ions.

# publications[].label
Cellulose Nanocrystal-Enabled Tailoring of the Interface in Carbon Nanotube- and Graphene Nanoplatelet-Carbon Fiber Polymer Composites: Implications for Structural Applications

# publications[].label
Evaluation of multivalent dendrimers based on melamine: kinetics of thiol-disulfide exchange depends on the structure of the dendrimer.

# publications[].label
New chemistry with an old element: Gold with nitrogen ligands

# publications[].label
Fundamental properties of small molecule models of Fe-only hydrogenase: computations relative to the definition of an entatic state in the active site

# publications[].label
Synthesis and characterization of a thiol-tethered tripyridyl porphyrin on Au(111)

# publications[].label
Highly Luminescent Linear Complex Arrays of up to Eight Cuprous Centers.

# publications[].label
Novel binding interactions of the DNA fragment d(pGpG) cross-linked by the antitumor active compound tetrakis(mu-carboxylato)dirhodium(II,II).

# publications[].label
Cyclic polyamidato dianions as bridges between Mo(2)(4+) units: synthesis, crystal structures, electrochemistry, absorption spectra, and electronic structures.

# publications[].label
Computational and empirical trans-hydrogen bond deuterium isotope shifts suggest that N1-N3 A:U hydrogen bonds of RNA are shorter than those of A:T hydrogen bonds of DNA.

# publications[].label
Cd-113 NMR determination of the binding parameters of alicyclic epoxides to [hydrotris(3-phenylpyrazol-1-yl)borate]Cd(II) acetate

# publications[].label
Thermal Stability of Metal-Organic Frameworks (MOFs): Concept, Determination, and Model Prediction Using Computational Chemistry and Machine Learning

# publications[].label
Exploring key orientations at protein-protein interfaces with small molecule probes.

# publications[].label
Utilizing Nearest-Neighbor Interactions To Alter Charge Transport Mechanisms in Molecular Assemblies of Porphyrins on Surfaces

# publications[].label
Reaction of the 1,8-bis(diphenylmethylium)naphthalenediyl dication with fluoride: formation of a cation containing a C-F-->C bridge.

# publications[].label
Studies of Ligand Exchange in N-Heterocyclic Carbene Silver(I) Complexes

# publications[].label
A divergent route towards single-chemical entity triazine dendrimers with opportunities for structural diversity.

# publications[].label
Carbon-Bromine Bond Formation through a Nickel-Centered Spin-Crossing Mechanism

# publications[].label
Structure and thermodynamic stability of the OsC and OsC2 molecules by theoretical calculations and by Knudsen cell mass spectrometry

# publications[].label
Mimicking PAMAM Dendrimers with Ampholytic, Hybrid Triazine Dendrimers: A Comparison of Dispersity and Stability.

# publications[].label
Synthesis of odd generation triazine dendrimers using a divergent, macromonomer approach.

# publications[].label
Evaluating minimalist mimics by exploring key orientations on secondary structures (EKOS).

# publications[].label
An amber obligate active site-directed ligand evolution technique for phage display.

# publications[].label
ELIXIR-A: An Interactive Visualization Tool for Multi-Target Pharmacophore Refinement.

# publications[].label
Unsupported intermolecular argentophilic interaction in the dimer of trinuclear silver(I) 3,5-diphenylpyrazolates

# publications[].label
Aqueous Dispersion of Carbon Nanomaterials with Cellulose Nanocrystals: An Investigation of Molecular Interactions.

# publications[].label
The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD.

# publications[].label
A multifaceted secondary structure mimic based on piperidine-piperidinones.

# publications[].label
Secondary structure of gas-phase model alanine-containing peptide ions in a low dielectric environment

# publications[].label
A new copper containing MALDI matrix that yields high abundances of [peptide + Cu]+ ions.

# publications[].label
Mechanistic investigation of the oxygen atom transfer reactivity of dioxo-molybdenum(VI) complexes

# publications[].label
Metal-Templated, Tight Loop Conformation of a Cys-X-Cys Biomimetic Assembles a Dimanganese Complex.

# publications[].label
Minimum Ignition Energy (MIE) prediction models for ignition sensitive fuels using machine learning methods

# publications[].label
Divergent synthesis of triazine dendrimers using a trimethylene-dipiperidine linker that increases efficiency, simplifies analysis, and improves product solubility.

# publications[].label
Diruthenium Naphthalene and Anthracene Complexes Containing a Doubly Linked Dicyclopentadienyl Ligand

# publications[].label
Hydrogel Synthesis and Stabilization via Tetrazine Click-Induced Secondary Interactions.

# publications[].label
Synthesis and structure of a dinuclear gold(II) complex with terminal fluoride ligands.

# publications[].label
Navigating the Light-Sheet Image Analysis Software Landscape: Concepts for Driving Cohesion From Data Acquisition to Analysis.

# publications[].label
A short, unsupported CuI...CuI interaction, 2.65 A, in a dinuclear guanidine chloride complex.

# publications[].label
Triazine dendrimers for drug delivery: Evaluation of solubilization properties, activity in cell culture, and in vivo toxicity of a candidate vehicle

# publications[].label
Anion-n interactions as controlling elements in supramolecular chemistry

# publications[].label
Quantitative Structure-Property Relationship (QSPR) models for Minimum Ignition Energy (MIE) prediction of combustible dusts using machine learning

# publications[].label
Cyanide-bridged [Co(II)2M(II)] and [Co(II)2M(II)2] complexes based on the [Co(II)(triphos)(CN)2] building block: syntheses, structures, magnetic properties, and density functional theoretical studies.

# publications[].label
Quantum Chemical Modeling of the Effects of Hydrated Lime (Calcium Hydroxide) as a Filler in Bituminous Materials.

# publications[].label
Theoretical study of the thermal decomposition of N,N-diacyl-N,N-dialkoxyhydrazines

# publications[].label
Unprecedented head-to-head conformers of d(GpG) bound to the antitumor active compound tetrakis (mu-carboxylato)dirhodium(II,II).

# publications[].label
Capture chromatography with mixed-mode resins: A case study with recombinant human thioredoxin from Escherichia coli.

# researcherOn[].label
Cyber Training :  CIC: The Texas A&M University Computational Materials Science Summer School (CMS3)

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# researcherOn[].label
Cellulose Nanocrystal-Enabled Manufacturing of Carbon Nanotube/Carbon Fiber Polymer Composites

# researcherOn[].awardedBy.label
National Science Foundation - (Arlington, Virginia, United States)

# streetAddress
Texas A&M University; High Performance Research Computing; 3361 TAMU

# organizations[]
Texas A&M High Performance Research Computing

# inTheNews[].label
Paving the way for new peptide-based therapeutics with novel method of phage display