Mendoza Laboratory

Publications

ORCID profile Google Scholar profile [10,448]= Total Citations [151] = Average citations per paper [34] = h-index [52] = i10 index [5] = Erdős number [69] = Research Articles [2] = Open-access books [5] = Provisional patents / invention disclosures [9] = Software packages and open datasets

69. Projected Hessian Learning: Fast Curvature Supervision for Accurate Machine-Learning Interatomic Potentials
A. Rodriguez, J. S. Smith, S. Matin, N. Lubbers*, K. Barros*, J.L. Mendoza-Cortes*,
Machine Learning: Science and Technology
2026, 7, 055037.
Full Article

68. How Does Intercalation Reshape Layered Structures? A First-Principles Study of Sodium Insertion in Layered Potassium Birnessite
A. Lee Punaro, D. Maldonado-Lopez, J. L. Cholula-Diaz, M. Videa*, J.L. Mendoza-Cortes*,
The Journal of Chemical Physics
2026, 165, 084703.
Full Article

67. Ferrocene-functionalized covalent organic framework exceeding the ultimate hydrogen storage targets: a first-principles multiscale computational study
M. Djokic, J.L. Mendoza-Cortes*,
npj Energy Materials
2026, 1, 18.
Full Article

66. Leveraging Polymorphism in YbCuBi to Map Transport and Elastic Properties
A. K. M. A. Shawon, G. Yumnam, H. Wang, Q. Zhang, D. L. Abernathy, M. E. Manley, J.L. Mendoza-Cortes*, R. P. Hermann*, A. Zevalkink*,
Chemistry of Materials
2026, 38, 3, 1425-1434.
Full Article

65. A first-principles theoretical study on two-dimensional MX and MX2 metal halides: bandgap engineering, magnetism, and catalytic descriptors
Y. Lin, D. Maldonado-Lopez, J.L. Mendoza-Cortes*,
Physical Chemistry Chemical Physics
2026, 28, 6, 3832-3840.
Full Article

64. Enhanced Antibacterial Efficacy of Copper Single-Atom Catalysts on a Two-Dimensional Boron Nitride Platform
W. Li, D. Maldonado-Lopez, Y. Zhao, C. Wang, J. Gao, B. Sun, Y. Bai, L. Sun, M. Zhao, H. He, J. Lou, Q. Yu, X. Zhang, V.K. Pandey, F. Kang, M. Terrones, J.L. Mendoza-Cortes*, Y. Lei*,
ACS nano
2025, 19, 50, 42198
Full Article

63. Enhanced Activity in Layered Metal-Oxide-Based Oxygen Evolution Catalysts by Layer-by-Layer Modulation of Metal-Ion Identity
R. Ding, D. Maldonado-Lopez, J.E. Henebry, J.L. Mendoza-Cortes*, M.J. Zdilla*,
ACS Catalysis
2025, 15, 20204
Full Article

62. Impact of Grain Size on Low-Temperature Carrier Phase Coherence Length in Polycrystalline Halide Perovskite Films
A. Sen, L. J. Scanlon, A. M. G. Carranza, J.L. Mendoza-Cortes*, J. Pollanen*, R. R. Lunt*, W. J. Gannon*
Advanced Materials Interfaces
2025, 13, 1, e00567
Full Article

61. Terahertz field control of surface topology probed with subatomic resolution
V. Jelic, S. Adams, D. Maldonado-Lopez, I. A. Buliyaminu, M. Hassan, J.L. Mendoza-Cortes*, T. L. Cocker*
Nature Photonics
2025, 19, 1048-1055
Full Article

60. Does Hessian Data Improve the Performance of Machine Learning Potentials?
Austin Rodriguez, Justin S. Smith, J.L. Mendoza-Cortes*
Journal of Chemical Theory and Computation
2025, 21, 14, 6698
Full Article

59. How Can We Engineer Electronic Transitions Through Twisting and Stacking in TMDC Bilayers and Heterostructures? A First-Principles Approach
Y.H. Lin, W.P. Comaskey, J.L. Mendoza-Cortes*
Nanoscale Advances
2025, 7, 2047
Full Article

58. Reaction-driven restructuring of defective PtSe2 into ultrastable catalyst for the oxygen reduction reaction
W. Niu, S. Pakhira, G. Cheng, F. Zhao, N. Yao, J.L. Mendoza-Cortes*, B.E. Koel*
Nature Materials
2024, 23, 1704.
Full Article

57. Nitrogen-Containing Surface Ligands Lead to False Positives for Photofixation of N2 on Metal Oxide Nanocrystals: An Experimental and Theoretical Study
D. Maldonado-Lopez, P.-W. Huang, K.R. Sanchez-Lievanos, G. Jana, J.L. Mendoza-Cortes*, K. Knowles*, M.C. Hatzell*
Advanced Functional Materials
2024, 35 (3), 2413319.
Full Article

56. Beyond lithium-ion batteries: Are effective electrodes possible for alkaline and other alkali elements? Exploring ion intercalation in surface-modified few-layer graphene and examining layer quantity and stages
YH Lin, JL Mendoza-Cortes*
Journal of Applied Physics
2024, 136 (7), 075001.
Full Article

55. Rare isotope-containing diamond colour centres for fundamental symmetry tests
I. M. Morris, K. Klink, Jaideep T. Singh, J. L. Mendoza-Cortes*, S. S. Nicley, J. N. Becker*
Philosophical Transactions of the Royal Society A
2024, 382, 2265.
Full Article

54. Transforming Materials Discovery for Artificial Photosynthesis: High-Throughput Screening of Earth-Abundant Semiconductors
S. M. Stafford, A. Aduenko, M. Djokic, Y. Lin, J. L. Mendoza-Cortes*
Journal of Applied Physics
2023, 134, 235706.
Full Article

53. MultiBinding Sites United in Covalent-Organic Frameworks (MSUCOF) for H2 Storage and Delivery at Room Temperature
M. Djokic, J. L. Mendoza-Cortes*
Energy & Fuels
2024, 38, 5, 4711.
Full Article

52. Exquisite Control of Electronic and Spintronic Properties on Highly Porous Covalent Organic Frameworks (COFs): Transition Metal Intercalation in Bilayers
D. Maldonado-Lopez, J. L. Mendoza-Cortes*
Physica Scripta
2023, 98, 10, 105926.
Full Article

51. Unveiling the mechanisms of epoxide polymerization with N�Al adduct catalysts: a comprehensive experimental and theoretical investigation
N. Safaie, A. Rodriguez, G. Jana, J. Smak, J. L. Mendoza-Cortes*, Robert C Ferrier Jr.*,
Polymer Chemistry
2023, 14, 3213.
Full Article

50. NMR Magnetic Shielding in Transition Metal Compounds Containing Cadmium, Platinum, and Mercury
A. D. Zapata-Escobar, A. F. Maldonado, J. L. Mendoza-Cortes*, G. A. Aucar*,
Magnetochemistry
2023, 9, 7, 165.
Full Article

49. Recent Advances in 2D Material Theory,Synthesis, Properties, and Applications
Y. Lin, Y. Lin, D. Maldonado-Lopez, J. L. Mendoza-Cortes, et al
ACS Nano
2023, 17, 11, 9694.
Full Article

48. Polychrony as Chinampas
E. Dolores-Cuenca, J. A. Arciniega-Nevarez, A. Nguyen, A. Y. Zou, L. Van Popering, N. Crock, G. Erlebacher, J. L. Mendoza-Cortes*
Algorithms
2023, 16, 4, 193.

47. Thermodynamics, Kinetics, and Optical Properties of Rotaxane: A First-Principles Molecular Dynamics Study
G. Jana, J. L. Mendoza-Cortes*
Journal of Physical Chemistry A
2023, 127, 12, 2671.
Full Article

46. Synergistic Steric and Electronic Effects on the Photoredox Catalysis by a Multivariate Library of Titania Metal--Organic Frameworks
J. T. Bryant, M. W. Logan, Z. Chen, M. Djokic, D. R. Cairnie, D. A. Vazquez-Molina, A. Nijamudheen, K. R. Langlois, M. J. Markley, G. Pombar, Amanda J. Morris*, J. L. Mendoza-Cortes*, Titel Jurca*, Karena W. Chapman*, and Fernando J. Uribe-Romo*
Journal of the American Chemical Society
2023, 145, 8, 4589.
Full Article

45. Relativistic Quantum Calculations to Understand the Contribution of f-type Atomic Orbitals and Chemical Bonding of Actinides with Organic Ligands
A. Zapata, S. Pakhira, J. Barroso-Flores, G. Aucar*, J. L. Mendoza-Cortes*
Physical Chemistry Chemical Physics
2023, 25, 5592.
Full Article

44. Role of spin currents on electron-electron interaction in the quantum spin Hall phase
W. P. Comaskey, F. Bodo, A. Erba, J. L. Mendoza-Cortes*, J. K Desmarais*
Physical Review B
2022, 106, 20, L201109.
Full Article

43. A Surface Modification Strategy Towards Reversible Na-ion Intercalation on Graphitic Carbon Using Fluorinated Few-Layer Graphene
D. Sarbapalli, Y. Lin, S. Stafford, J. Son, A. Mishra, J. Hui, A. Nijamudheen, A. Romo, Z. T. Gossage, A. M van der Zande, J. L. Mendoza-Cortes*, J. Rodriguez-Lopez*
Journal of The Electrochemical Society
2022, 169, 10, 106522.
Full Article

42. Multi-dimensional designer catalysts for negative emissions science (NES): bridging the gap between synthesis, simulations, and analysis
C. M. Hill*, J. L. Mendoza-Cortes*, J. M. Velazquez*, L. Whittaker-Brooks*
iScience
2022, 1, 25, 103700.
Full Article

41. Ubiquity of cubanes in bioinorganic relevant compounds
A. Bigness, S. Vaddypally, M. J. Zdilla*, J. L. Mendoza-Cortes*
Coordination Chemistry Reviews
2022, 450, 214168.
Full Article

40. Low temperature activation of inert hexagonal boron nitride for metal deposition and single atom catalysis
Y. Lei, S. Pakhira, J. L. Mendoza-Cortes*, M. Terrones*, et al.
Materials Today
2021, 51, 108-116.
Full Article

39. Helical Covalent Polymers with Unidirectional Ion Channels as Single Lithium-Ion Conducting Electrolytes
Y. Hu, N. Dunlap, H. Long, H. Chen, L. J. Wayment, M. Ortiz, Y. Jin, A. Nijamudheen, J. L. Mendoza-Cortes, S. Lee, W. Zhang
CCS Chemistry
2021, 3, 2762
Full Article

38. Multi-objective parametrization of interatomic potentials for large deformation pathways and fracture of two-dimensional materials
X. Zhang, H. Nguyen, J. L. Mendoza-Cortes, H. D. Espinosa, et al
npj Computational Materials
2021, 7, 113.
Full Article

37. Rapidly Reversible Organic Crystalline Switch for Conversion of Heat into Mechanical Energy
M. Dharmarwardana, S. Pakhira, J. L. Mendoza-Cortes*, J. J. Gassensmith*, et al
Journal of the American Chemical Society
2021, 143, 15, 5951.
Full Article

36. Nernstian Li+ intercalation into few-layer graphene and its use for the determination of K+ co-intercalation processes
J. Hui, A. Nijamudheen, D. Sarbapalli, J. L. Mendoza-Cortes*, J. Rodriguez-Lopez*, et al
Chemical Science
2021, 12, 559.
Full Article

35. Understanding Disorder in 2D Materials: The Case of Carbon Doping of Silicene
R. Pablo-Pedro, J. L. Mendoza-Cortes*, T. Van Voorhis*, et al
Nano Letters
2020, 20, 9, 6336.
Full Article

34. Impact of Surface Modification on the Lithium, Sodium, and Potassium Intercalation Efficiency and Capacity of Few-Layer Graphene Electrodes
A. Nijamudheen, D. Sarbapalli, J. Hui, J. Rodriguez-Lopez*, J. L. Mendoza-Cortes*
ACS applied materials & interfaces
2020, 12, 17, 19393-19401.
Full Article

33. Quantum Nature in the Interaction of Molecular Hydrogen with Porous Materials: Implications for Practical Hydrogen Storage
S. Pakhira, J. L. Mendoza-Cortes*
Journal of Physical Chemistry C
2020, 124, 11, 6454.
Full Article

32. Raman and electrical transport properties of few-layered arsenic-doped black phosphorus
N. R. Pradhan, C. Garcia, M. C. Lucking, S. Pakhira, J. Martinez, D. Rosenmann, R. Divan, A. V. Sumant, H. Terrones*, J. L. Mendoza-Cortes*, S. A. McGill, N. D. Zhigadlo, L. Balicas
Nanoscale
2019, 11, 39, 18449-18463.
Full Article

31. Stabilizing polymer electrolytes in high-voltage lithium batteries
S. Choudhury, Z. Tu, A. Nijamudheen, J.L. Mendoza-Cortes*, L.A. Archer*, et al
Nature Communications
2019, 10, 3091.
Full Article

30. Intercalation of First Row Transition Metals inside Covalent-Organic Frameworks (COFs): A Strategy to Fine Tune the Electronic Properties of Porous Crystalline Materials
S. Pakhira, J. L. Mendoza-Cortes*
Physical Chemistry Chemical Physics
2019, 21, 8785.
Full Article

29. Online Measurement of Glucose Consumption from HepG2 Cells Using an Integrated Bioreactor and Enzymatic Assay
A. G. Adams, R. Bulusu, N. Mukhitov, J. L. Mendoza-Cortes, Michael G. Roper
Analytical. Chemistry
2019, 91, 8, 5184.
Full Article

28. Synthesis and Characterization of Tris-chelate Complexes for Understanding f-Orbital Bonding in Later Actinides
SS Galley, JL Mendoza-Cortes, TE Albrecht-Schmitt, L Gagliardi, and SC Bart, et al
Journal of the American Chemical Society
141 (6), 2356, 2019
Full Article

27. Achieving Fast and Efficient K+ Intercalation on Ultrathin Graphene Electrodes Modified by a Li+ Based Solid-Electrolyte Interphase
J. Hui, N. Schorr, S. Pakhira, Z. Qu, J. L. Mendoza-Cortes*, J. Rodriguez-Lopez*
Journal of the American Chemical Society
2018, 140, 42, 13599-13603.

25. Reaction Mechanism of the Selective Reduction of CO2 to CO by a Tetraaza [Co(II)N4H]2+ Complex in the Presence of Protons
A. J. Garza, S. Pakhira, A. T. Bell, J. L. Mendoza-Cortes*, M. Head-Gordon*
Physical Chemistry Chemical Physics
2018, 20, 37, 24058-24064.

24. S-Doped MoP Nanoporous Layer Toward High-Efficiency Hydrogen Evolution in pH-Universal Electrolyte
K. Liang, S. Pakhira, Z. Yang, A. Nijamudheen, L. Ju, M. Wang, C. I. Aguirre-Velez, G. E. Sterbinsky, Y. Du, Z. Feng, J. L. Mendoza-Cortes*, Y. Yang*
ACS Catalysis
2019, 9, 1, 651-659.

23. Exploring Low Internal Reorganization Energies for Silicene Nanoclusters
R. Pablo-Pedro, H. Lopez-Rios, J. L. Mendoza-Cortes, J. Kong, S. Fomine, T. Van Voorhis, M. S. Dresselhaus
Physical Review Applied
2018, 9, 5, 054012.

21. General Theory of Absorption in Porous Materials: The Restricted Multilayer Theory
A. A. Aduenko, A. Murray, J. L. Mendoza-Cortes*
ACS Applied Materials & Interfaces
2018, 10, 15, 13244-13251.

20. Demystifying the Mechanism of Regio- and Isoselective Epoxide Polymerization Using the Vandenberg Catalyst
R. C. Ferrier, S. Pakhira, S. E. Palmon, C. G. Rodriguez, D. E. Goldfeld, O. O. Iyiola, M. Chwatko, J. L. Mendoza-Cortes*, N. A. Lynd*
Macromolecules
2018, 51, 5, 1777-1786.

	26. Apically Dominant Mechanism for Improving Catalytic Activities of N-Doped Carbon Nanotube Arrays in Rechargeable Zinc-Air Battery Wenhan Niu, Srimanta Pakhira, Kyle Marcus, Zhao Li, Jose L. Mendoza-Cortes*, Yang Yang*, ADVANCED ENERGY MATERIALS 2018, 8, 1800480. DOI: https://doi.org/10.1002/aenm.201800480 Full Article   (Suplemental)
	22. Framework vs. side-chain amphidynamic behaviour in oligo-(ethylene oxide) functionalised covalent-organic frameworks Demetrius A. Vazquez-Molina, Giovanna M. Pope, Andrew A. Ezazi, Jose L. Mendoza-Cortes*, James K. Harper* and Fernando J. Uribe-Romo*, CHEMICAL COMMUNICATIONS 2018, 54, 6947-6950 DOI: https://doi.org/10.1039/c8cc04292f Full Article   (Suplemental)
	19. Modulating Electrocatalysis on Graphene Heterostructures: Physically Impermeable Yet Electronically Transparent Electrodes Jingshu Hui, Srimanta Pakhira, Richa Bhargava, Zachary J. Barton, Xuan Zhou, Adam J. Chinderle, Jose L. Mendoza-Cortes*, and Joaquin Rodiguez-Lopez*, ACS NANO 2018, 12 (3), pp 2980-2990, DOI: 10.1021/acsnano.8b00702 Full Article   (Suplemental)
	18. Dirac cone in two dimensional bilayer graphene by intercalation with V, Nb, and Ta transition metals Srimanta Pakhira, Kevin P. Lucht, and Jose L. Mendoza-Cortes* JOURNAL OF CHEMICAL PHYSICS 2018, 148, 064707. DOI: https://doi.org/10.1063/1.5008996 Full Article   (Suplemental)
	17. Tuning the Dirac Cone of Bilayer and Bulk Structure Graphene by Intercalating First Row Transition Metals Using First-Principles Calculations Srimanta Pakhira, Jose L. Mendoza-Cortes*, JOURNAL OF PHYSICAL CHEMISTRY 2018, 122 (9), pp 4768-4782 DOI: https://doi.org/10.1021/acs.jpcc.7b11761 Full Article   (Suplemental)
	16. Iron Intercalation in Covalent-Organic Frameworks: A Promising Approach for Semiconductors Srimanta Pakhira, Kevin P. Lucht, and Jose L. Mendoza-Cortes* JOURNAL OF PHYSICAL CHEMISTRY 2017, 121, 21160-21170, DOI: 10.1021/acs.jpcc.7b06617 (Download Preprint)   (Download PrePrint SI)
	15. Low-temperature Synthesis of Heterostructures of Transition Metal Dichalcogenide Alloys (WxMo1xS2) and Graphene with Superior Catalytic Performance for Hydrogen Evolution Yu Lei, Srimanta Pakhira,..., Ruitao Lv*, Jose L. Mendoza-Cortes*, Mauricio Terrones* ACS NANO 2017, 11, 5103-5112, DOI: 10.1021/acsnano.7b02060 (Download Preprint)   (Download Preprint SI)
	14. Design Principles for High H2 Storage Using Chelation of Abundant Transition Metals in Covalent Organic Frameworks for 0-700 bar at 298 K Y. Pramudya, J. L. Mendoza-Cortes* JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2016, 138, 15204-15213, DOI: 10.1021/jacs.6b08803 (Download Preprint)   (Download Preprint SI)
	13. Birnessite: A Layered Manganese Oxide To Capture Sunlight for Water-Splitting Catalysis Kevin P. Lucht, J. L. Mendoza-Cortes* JOURNAL OF PHYSICAL CHEMISTRY C 2015, 119, 22838-22846, DOI: 10.1021/acs.jpcc.5b07860 (Download Preprint)   (Download Printed Version)
	At UCLA, Caltech and UC Berkeley
	12. Visible Light Sensitized CO2 Activation by the Tetraaza [CoIIN4H(MeCN)]2+ Complex Investigated by FT-IR Spectroscopy and DFT Calculations M. Zhang†, M. El-Roz†, H. Frei*, J. L. Mendoza-Cortes†, M. Head-Gordon*, D. C. Lacy, J. C. Peters* JOURNAL OF PHYSICAL CHEMISTRY C 2015, 119, 4645-4654. DOI: 10.1021/jp5127738 †These authors contributed equally
	11. Prediction of the crystal packing of di-tetrazine-tetroxide (DTTO) energetic material Jose L. Mendoza-Cortes, Qi An, William A. Goddard III, Caichao Ye, Sergey Zybin JOURNAL OF COMPUTATIONAL CHEMISTRY 2016, 37, 2, 163-167. DOI: 10.1002/jcc.23893
	10. 1, 3-Sigmatropic fluorine migration to boron in McLafferty type of rearrangements: Observation of tetrafluorobenzyne radical cation and trifluorobenzyne cation by CID-mass spectrometry N. G. Nair, Jose L. Mendoza-Cortes, Ravinder Abrol, W. A. Goddard, V. P. Reddy JOURNAL OF ORGANOMETALLIC CHEMISTRY 2013, 747, 133-139. DOI:10.1016/j.jorganchem.2013.06.006
	9. Oxygen atom transfer and oxidative water incorporation in cuboidal Mn3MO n complexes based on synthetic, isotopic labeling, and computational studies Jacob S. Kanady, Jose L. Mendoza-Cortes, E. Tsui, R. J. Nielsen, W. A. Goddard III, Theo Agapie JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 2013, 135, 1073--1082. DOI: 10.1021/ja310022p
	8. A Covalent Organic Framework that Exceeds the DOE 2015 Volumetric Target for H2 Uptake at 298 K Jose L. Mendoza-Cortes, H. Furukawa, Omar M. Yaghi, W. A. Goddard JOURNAL OF PHYSICAL CHEMISTRY LETTERS 2012, 18, 2671-2675. DOI: 10.1021/jz301000m
	7. High H-2 Uptake in Li-, Na-, K-Metalated Covalent Organic Frameworks and Metal Organic Frameworks at 298 K Jose L. Mendoza-Cortes, Han, SS; Goddard, WA JOURNAL OF PHYSICAL CHEMISTRY A 2012, 116, 6, 1621-1631. DOI: 10.1021/jp206981d
	6. Design of Covalent Organic Frameworks for Methane Storage Jose L. Mendoza-Cortes, Pascal, TA; Goddard, WA JOURNAL OF PHYSICAL CHEMISTRY A 2011, 115, 47, 13852-13857. DOI: 10.1021/jp209541e
	5. Adsorption Mechanism and Uptake of Methane in Covalent Organic Frameworks: Theory and Experiment Jose L. Mendoza-Cortes, Han SS; Furukawa H; Yaghi OM; Goddard, WA JOURNAL OF PHYSICAL CHEMISTRY A 2010, 114, 40, 10824-10833. DOI: 10.1021/jp1044139
	4. Recent advances on simulation and theory of hydrogen storage in metal-organic frameworks and covalent organic frameworks Han SS; Jose L. Mendoza-Cortes, Goddard WA CHEMICAL SOCIETY REVIEWS 2009, 38, 5, 1460-1476. DOI: 10.1039/b802430h
	3. Secondary building units, nets and bonding in the chemistry of metal-organic frameworks Tranchemontagne DJ; Jose L. Mendoza-Cortes, O'Keeffe M; Yaghi OM CHEMICAL SOCIETY REVIEWS 2009, 38, 5, 1257-1283. DOI: 10.1039/b817735j
	2. Designed synthesis of 3D covalent organic frameworks El-Kaderi HM; Hunt JR; Jose L. Mendoza-Cortes, Cote AP; Taylor RE; O'Keeffe M; Yaghi OM SCIENCE 2007, 316, 5822, 268-272. DOI: 10.1126/science.1139915
	1. A high-yield, one-step synthesis of o-phenylene ethynylene cyclic trimer via precipitation-driven alkyne metathesis Zhang W; Brombosz SM; Jose L. Mendoza, Moore JS JOURNAL OF ORGANIC CHEMISTRY 2005, 70, 24, 10198-10201. DOI: 10.1021/jo0517803

3. Quantum Computing Live Book
F. Velasquez, W. Comaskey, E. Dolores-Cuenca and J. L. Mendoza-Cortes
ebook, Open source - Open Access
2026
QC Live Book   (Zenodo)

2. Machine Learning and Quantum Computing Guide for Humans
J. L. Mendoza-Cortes, E. Dolores-Cuenca, C. Aguirre, Y.-Y. Tzeng, G. Xu, N. Crock, A. Aduenko
ebook, Open source - Open Access
2025
ML/AI ebook

1. The Oxygen-Evolving Complex of Photosystem II: Insights from Computation and Synthetic Models
J. S. Kanady†, J. L. Mendoza-Cortes†, W. A. Goddard and T. Agapie
Metalloproteins: Theory, Calculations, and Experiments , CRC Press
2015, 165-204.
†These authors contributed equally

Ph.D. Design of molecules and materials for applications in clean energy, catalysis and molecular machines through quantum mechanics, molecular dynamics and Monte Carlo simulations
J.L. Mendoza-Cortes*
PhD Thesis, California Institute of Technology
2012
Full Thesis

B.Sc. ab initio BASED GRAND CANONICAL MONTE-CARLO SIMULATIONS OF CH4 UPTAKE IN COVALENT ORGANIC FRAMEWORKS (COFs)
J.L. Mendoza-Cortes*
BSci Thesis, Caltech-UCLA-ITESM
2008
Full Thesis