HR job title
- Director for Advanced Computing Enablement
- Contact Info
- 1 979 458-8414
- Websites
- ORCiD
- 0000-0003-1176-1027
Perez, Lisa Director for Advanced Computing Enablement
Positions
- Associate Director, Texas A&M High Performance Research Computing
Research Areas
- Overview
- Publications
- Research
- Teaching
- Background
- Contact
- Other
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Overview
Publications
selected publications
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academic article
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Aramfard, M., Kaynan, O., Hosseini, E., Zakertabrizi, M., Prez, L. M., & Asadi, A.
(2022).
Aqueous Dispersion of Carbon Nanomaterials with Cellulose Nanocrystals: An Investigation of Molecular Interactions. Small.
18(37), e2202216-2202216.
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Escobar-Hernandez, H. U., Perez, L. M., Hu, P., Soto, F. A., Papadaki, M. I., Zhou, H., & Wang, Q.
(2022).
Thermal Stability of Metal-Organic Frameworks (MOFs): Concept, Determination, and Model Prediction Using Computational Chemistry and Machine Learning. Industrial & Engineering Chemistry Research.
61(17), 5853-5862.
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Wang, H., Mulgaonkar, N., Prez, L. M., & Fernando, S.
(2022).
ELIXIR-A: An Interactive Visualization Tool for Multi-Target Pharmacophore Refinement. ACS Omega.
7(15), 12707-12715.
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Kaynan, O., Perez, L. M., & Asadi, A.
(2022).
Cellulose Nanocrystal-Enabled Tailoring of the Interface in Carbon Nanotube- and Graphene Nanoplatelet-Carbon Fiber Polymer Composites: Implications for Structural Applications. ACS Applied Nano Materials.
5(1), 1284-1295.
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Grajales, J. A., Prez, L. M., Schwab, A. P., & Little, D. N.
(2021).
Quantum Chemical Modeling of the Effects of Hydrated Lime (Calcium Hydroxide) as a Filler in Bituminous Materials. ACS Omega.
6(4), 3130-3139.
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Chaudhari, P., Ade, N., Perez, L. M., Kolis, S., & Mashuga, C. V.
(2021).
Minimum Ignition Energy (MIE) prediction models for ignition sensitive fuels using machine learning methods. JOURNAL OF LOSS PREVENTION IN THE PROCESS INDUSTRIES.
69, 104343-104343.
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Gibbs, H. C., Mota, S. M., Hart, N. A., Min, S. W., Vernino, A. O., Pritchard, A. L., ... Perez, L. M.
(2021).
Navigating the Light-Sheet Image Analysis Software Landscape: Concepts for Driving Cohesion From Data Acquisition to Analysis. Frontiers in Cell and Developmental Biology.
9, 739079.
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Holt, S. E., Rakoski, A., Jivan, F., Prez, L. M., & Alge, D. L.
(2020).
Hydrogel Synthesis and Stabilization via Tetrazine Click-Induced Secondary Interactions. Macromolecular Rapid Communications.
41(14), e2000287-2000287.
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Le, T., Nguyen, H., Perez, L. M., Darensbourg, D. J., & Darensbourg, M. Y.
(2020).
Metal-Templated, Tight Loop Conformation of a Cys-X-Cys Biomimetic Assembles a Dimanganese Complex. Angewandte Chemie International Edition.
59(9), 3645-3649.
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Tharp, J. M., Hampton, J. T., Reed, C. A., Ehnbom, A., Chen, P., Morse, J. S., ... Liu, W. R.
(2020).
An amber obligate active site-directed ligand evolution technique for phage display. Nature Communications.
11(1), 1392.
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Ravi, A., Foster, E. R., Perez, L. M., & Nikolov, Z. L.
(2020).
Capture chromatography with mixed-mode resins: A case study with recombinant human thioredoxin from Escherichia coli. Journal of Chromatography A.
1625, 461327-461327.
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Chaudhari, P., Ade, N., Perez, L. M., Kolis, S., & Mashuga, C. V.
(2020).
Quantitative Structure-Property Relationship (QSPR) models for Minimum Ignition Energy (MIE) prediction of combustible dusts using machine learning. Powder Technology.
372, 227-234.
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Sun, Q., Li, X., Perez, L. M., Shi, W., Zhang, Y., & Sacchettini, J. C.
(2020).
The molecular basis of pyrazinamide activity on Mycobacterium tuberculosis PanD. Nature Communications.
11(1), 339.
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Stollenz, M., Raymond, J. E., Prez, L. M., Wiederkehr, J., & Bhuvanesh, N.
(2016).
Highly Luminescent Linear Complex Arrays of up to Eight Cuprous Centers. Chemistry - A European Journal.
22(7), 2396-2405.
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Schuckman, A. E., Ewers, B. W., Yu, L. H., Tome, J., Perez, L. M., Drain, C. M., Kushmerick, J. G., & Batteas, J. D.
(2015).
Utilizing Nearest-Neighbor Interactions To Alter Charge Transport Mechanisms in Molecular Assemblies of Porphyrins on Surfaces. Journal of Physical Chemistry C.
119(24), 13569-13579.
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Powers, D. C., Anderson, B. L., Hwang, S. J., Powers, T. M., Prez, L. M., Hall, M. B., ... Nocera, D. G.
(2014).
Photocrystallographic observation of halide-bridged intermediates in halogen photoeliminations. Journal of the American Chemical Society.
136(43), 15346-15355.
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Xin, D., Perez, L. M., Ioerger, T. R., & Burgess, K.
(2014).
A multifaceted secondary structure mimic based on piperidine-piperidinones. Angewandte Chemie International Edition.
53(14), 3594-3598.
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Xin, D., Ko, E., Perez, L. M., Ioerger, T. R., & Burgess, K.
(2013).
Evaluating minimalist mimics by exploring key orientations on secondary structures (EKOS). Organic and Biomolecular Chemistry.
11(44), 7789-7801.
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DeBord, J. D., Verkhoturov, S. V., Perez, L. M., North, S. W., Hall, M. B., & Schweikert, E. A.
(2013).
Measuring the internal energies of species emitted from hypervelocity nanoprojectile impacts on surfaces using recalibrated benzylpyridinium probe ions. Journal of Chemical Physics.
138(21), 214301-214301.
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Ko, E., Raghuraman, A., Perez, L. M., Ioerger, T. R., & Burgess, K.
(2013).
Exploring key orientations at protein-protein interfaces with small molecule probes. Journal of the American Chemical Society.
135(1), 167-173.
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Salembier, H., Mauldin, J., Hammond, T., Wallace, R., Alqassab, E., Hall, M. B., ... Chin, R. M.
(2012).
Diruthenium Naphthalene and Anthracene Complexes Containing a Doubly Linked Dicyclopentadienyl Ligand. Organometallics.
31(13), 4838-4848.
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Su, H., Perez, L. M., Lee, S., Reibenspies, J. H., Bazzi, H. S., & Bergbreiter, D. E.
(2012).
Studies of Ligand Exchange in N-Heterocyclic Carbene Silver(I) Complexes. Organometallics.
31(10), 4063-4071.
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Renz, A. L., Perez, L. M., & Hall, M. B.
(2011).
Carbon-Bromine Bond Formation through a Nickel-Centered Spin-Crossing Mechanism. Organometallics.
30(23), 6365-6371.
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Raghuraman, A., Ko, E., Perez, L. M., Ioerger, T. R., & Burgess, K.
(2011).
Pyrrolinone-pyrrolidine oligomers as universal peptidomimetics. Journal of the American Chemical Society.
133(32), 12350-12353.
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Melgarejo, D. Y., Chiarella, G. M., Fackler, J. P., Perez, L. M., Rodrigue-Witchel, A., & Reber, C.
(2011).
Synthesis and structure of a dinuclear gold(II) complex with terminal fluoride ligands. Inorganic Chemistry.
50(10), 4238-4240.
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Ko, E., Liu, J., Perez, L. M., Lu, G., Schaefer, A., & Burgess, K.
(2011).
Universal peptidomimetics. Journal of the American Chemical Society.
133(3), 462-477.
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Karadas, F., Shatruk, M., Perez, L. M., & Dunbar, K. R.
(2010).
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. Chemistry - A European Journal.
16(24), 7164-7173.
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Mintzer, M. A., Perez, L. M., & Simanek, E. E.
(2010).
Divergent synthesis of triazine dendrimers using a trimethylene-dipiperidine linker that increases efficiency, simplifies analysis, and improves product solubility. Tetrahedron Letters.
51(13), 1631-1634.
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Lim, J., Mintzer, M. A., Perez, L. M., & Simanek, E. E.
(2010).
Synthesis of odd generation triazine dendrimers using a divergent, macromonomer approach. Organic Letters.
12(6), 1148-1151.
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Chiarella, G. M., Melgarejo, D. Y., Rozanski, A., Hempte, P., Perez, L. M., Reber, C., & Fackler, J. P.
(2010).
A short, unsupported CuI...CuI interaction, 2.65 A, in a dinuclear guanidine chloride complex. Chemical Communications.
46(1), 136-138.
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Lalwani, S., Chouai, A., Perez, L. M., Santiago, V., Shaunak, S., & Simanek, E. E.
(2009).
Mimicking PAMAM Dendrimers with Ampholytic, Hybrid Triazine Dendrimers: A Comparison of Dispersity and Stability. MACROMOLECULES.
42(17), 6723-3732.
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Wu, Z., Fernandez-Lima, F. A., Perez, L. M., & Russell, D. H.
(2009).
A new copper containing MALDI matrix that yields high abundances of [peptide + Cu]+ ions. Journal of the American Society for Mass Spectrometry.
20(7), 1263-1271.
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Chan, Y., Schuckman, A. E., Perez, L. M., Vinodu, M., Drain, C. M., & Batteas, J. D.
(2008).
Synthesis and characterization of a thiol-tethered tripyridyl porphyrin on Au(111). Journal of Physical Chemistry C.
112(15), 6110-6118.
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Bench, B. J., Tichy, S. E., Perez, L. M., Benson, J., & Watanabe, C.
(2008).
Synthesis and cellular effects of cycloterpenals: cyclohexadienal-based activators of neurite outgrowth. Bioorganic and Medicinal Chemistry.
16(16), 7573-7581.
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Crampton, H., Hollink, E., Perez, L. M., & Simanek, E. E.
(2007).
A divergent route towards single-chemical entity triazine dendrimers with opportunities for structural diversity. New Journal of Chemistry.
31(7), 1283-1290.
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Kim, Y., Manalo, M. N., Perz, L. M., & LiWang, A.
(2006).
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. Journal of Biomolecular NMR.
34(4), 229-236.
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Mohamed, A. A., Perez, L. M., & Fackler, J. P.
(2005).
Unsupported intermolecular argentophilic interaction in the dimer of trinuclear silver(I) 3,5-diphenylpyrazolates. Inorganica Chimica Acta.
358(5), 1657-1662.
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Szalay, P. S., Galan-Mascaros, J. R., Schottel, B. L., Bacsa, J., Perez, L. M., Ichimura, A. S., Chouai, A., & Dunbar, K. R.
(2004).
Experimental and computational studies of charge-transfer and reduction products of 1,4,5,8,9,11-hexaazatriphenylene-hexacarbonitrile: HAT-(CN)(6). Journal of Cluster Science: including nanoclusters and nanoparticles.
15(4), 503-530.
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Darensbourg, D. J., Billodeaux, D. R., & Perez, L. M.
(2004).
Cd-113 NMR determination of the binding parameters of alicyclic epoxides to [hydrotris(3-phenylpyrazol-1-yl)borate]Cd(II) acetate. Organometallics.
23(22), 5286-5290.
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Wang, H., Webster, C. E., Prez, L. M., Hall, M. B., & Gabbai, F. P.
(2004).
Reaction of the 1,8-bis(diphenylmethylium)naphthalenediyl dication with fluoride: formation of a cation containing a C-F-->C bridge. Journal of the American Chemical Society.
126(26), 8189-8196.
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szalay, p. s., galan-mascaros, j. r., schottel, b. l., bacsa, J., perez, l. m., ichimura, a. s., chouai, A., & dunbar, k. r.
(2004).
HAT-(CN) 6. 15(4),
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Zhang, W., Jiang, J., Qin, C. H., Perez, L. M., Parrish, A. R., Safe, S. H., & Simanek, E. E.
(2003).
Triazine dendrimers for drug delivery: Evaluation of solubilization properties, activity in cell culture, and in vivo toxicity of a candidate vehicle. Supramolecular Chemistry.
15(7-8), 607-+.
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Chifotides, H. T., Koshlap, K. M., Prez, L. M., & Dunbar, K. R.
(2003).
Novel binding interactions of the DNA fragment d(pGpG) cross-linked by the antitumor active compound tetrakis(mu-carboxylato)dirhodium(II,II). Journal of the American Chemical Society.
125(35), 10714-10724.
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Chifotides, H. T., Koshlap, K. M., Prez, L. M., & Dunbar, K. R.
(2003).
Unprecedented head-to-head conformers of d(GpG) bound to the antitumor active compound tetrakis (mu-carboxylato)dirhodium(II,II). Journal of the American Chemical Society.
125(35), 10703-10713.
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Cotton, F. A., Donahue, J. P., Murillo, C. A., Prez, L. M., & Yu, R.
(2003).
Cyclic polyamidato dianions as bridges between Mo(2)(4+) units: synthesis, crystal structures, electrochemistry, absorption spectra, and electronic structures. Journal of the American Chemical Society.
125(29), 8900-8910.
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Cotton, F. A., Donahue, J. P., Murillo, C. A., & Prez, L. M.
(2003).
Polyunsaturated dicarboxylate tethers connecting dimolybdenum redox and chromophoric centers: absorption spectra and electronic structures. Journal of the American Chemical Society.
125(18), 5486-5492.
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Zhang, W., Tichy, S. E., Prez, L. M., Maria, G. C., Lindahl, P. A., & Simanek, E. E.
(2003).
Evaluation of multivalent dendrimers based on melamine: kinetics of thiol-disulfide exchange depends on the structure of the dendrimer. Journal of the American Chemical Society.
125(17), 5086-5094.
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Georgakaki, I. P., Thomson, L. M., Lyon, E. J., Hall, M. B., & Darensbourg, M. Y.
(2003).
Fundamental properties of small molecule models of Fe-only hydrogenase: computations relative to the definition of an entatic state in the active site. COORDINATION CHEMISTRY REVIEWS.
238, 255-266.
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Meloni, G., Thomson, L. M., & Gingerich, K. A.
(2001).
Structure and thermodynamic stability of the OsC and OsC2 molecules by theoretical calculations and by Knudsen cell mass spectrometry. Journal of Chemical Physics.
115(10), 4496-4501.
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Thomson, L. M., & Hall, M. B.
(2000).
Theoretical study of the thermal decomposition of N,N-diacyl-N,N-dialkoxyhydrazines:: A comparison of HF, MP2, and DFT. Journal of Physical Chemistry A.
104(26), 6247-6252.
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Peterson, K. A., Li, Y. M., Francisco, J. S., Zou, P., Webster, C. E., Prez, L. M., Hall, M. B., & North, S. W.
The role of triplet states in the long wavelength absorption region of bromine nitrate. Journal of Chemical Physics.
119(15), 7864-7870.
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Aramfard, M., Kaynan, O., Hosseini, E., Zakertabrizi, M., Prez, L. M., & Asadi, A.
(2022).
Aqueous Dispersion of Carbon Nanomaterials with Cellulose Nanocrystals: An Investigation of Molecular Interactions. Small.
18(37), e2202216-2202216.
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conference paper
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Fackler, J., Abdou, H., Mohamed, A. A., Burini, A., Galassi, R., & Perez, L. M.
(2006).
New chemistry with an old element: Gold with nitrogen ligands. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
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Schottel, B. L., Chifotides, H., Shatruk, M., Bacsa, J., Perez, L. M., Chouai, A., & Dunbar, K. R.
(2005).
Anion-n interactions as controlling elements in supramolecular chemistry. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
U3143-U3145.
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Kail, B. W., Perez, L. M., Zaric, S. D., Millar, A., Young, C. G., Hall, M. B., & Basu, P.
(2005).
Mechanistic investigation of the oxygen atom transfer reactivity of dioxo-molybdenum(VI) complexes. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
U2077-U2077.
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Beckley, J. R., Perez, L. M., Scholtz, J. M., Pace, C. N., & Russell, D. H.
(2005).
Secondary structure of gas-phase model alanine-containing peptide ions in a low dielectric environment. Biophysical Journal.
42A-42A.
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Fackler, J., Abdou, H., Mohamed, A. A., Burini, A., Galassi, R., & Perez, L. M.
(2006).
New chemistry with an old element: Gold with nitrogen ligands. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY.
Research
co-principal investigator on
- Cellulose Nanocrystal-Enabled Manufacturing of Carbon Nanotube/Carbon Fiber Polymer Composites awarded by National Science Foundation - (Arlington, Virginia, United States) 2019 - 2022
- Cyber Training : CIC: The Texas A&M University Computational Materials Science Summer School (CMS3) awarded by National Science Foundation - (Arlington, Virginia, United States) 2018 - 2021
Teaching
teaching activities
- CHEM491 Hnr-research Instructor
- CHEM658 Molecular Modeling Instructor
- CHEM685 Directed Studies Instructor
Background
education and training
- Ph.D. in Physical Chemistry, Texas A&M University - (College Station, Texas, United States) 2002
- B.S. in Chemistry, minor in Mathematics and Computer Information Systems, Humboldt State University - (Arcata, California, United States) 1994
Contact
first name
- Lisa
has last name
- Perez
mailing address
-
Texas A&M University
High Performance Research Computing
3361 TAMU
College Station, TX 77843-3361
USA
Other
In the News
- perez@tamu.edu