alex maldonado
PhD Candidate at University of Pittsburgh Swanson School of Engineering
ph.d . candidate university pittsburgh swanson school engineering
University of Pittsburgh Swanson School of Engineering
https://www.linkedin.com/company/pittengineering
PhD Candidate
Greater Pittsburgh Area
https://media-exp1.licdn.com/dms/image/C4E0BAQFCdUbCY8balQ/company-logo_100_100/0/1578667731983?e=1655942400&v=beta&t=nyjK1_3FKn-ogaTcYx97V9w0-Bw2c_JrNdzslFOYvuw
Western Michigan University
https://www.linkedin.com/company/westernmichu
MI-LSAMP Research Intern
Kalamazoo, Michigan
https://media-exp1.licdn.com/dms/image/C560BAQE9-K9PnQclIg/company-logo_100_100/0/1633032392527?e=1655942400&v=beta&t=WUCew6RSq20EpXh3VOBnHHonH5dnXaJcuII1HZpQSsc
Western Michigan University
https://www.linkedin.com/company/westernmichu
Undergraduate Research Assistant
Kalamazoo, Michigan Area
https://media-exp1.licdn.com/dms/image/C560BAQE9-K9PnQclIg/company-logo_100_100/0/1633032392527?e=1655942400&v=beta&t=WUCew6RSq20EpXh3VOBnHHonH5dnXaJcuII1HZpQSsc
City of Kalamazoo
https://www.linkedin.com/company/kalamazoocity
Environmental Concerns Committee
Kalamazoo, Michigan Area
https://media-exp1.licdn.com/dms/image/C4E0BAQGXdg2SdNTGHQ/company-logo_100_100/0/1519890143657?e=1655942400&v=beta&t=yTX0qvebVGeBsgVgYVZbUR2YjfMtzvHCclb3-DG_iCU
Chemical Engineering
Doctor of Philosophy - PhD
University of Pittsburgh
https://www.linkedin.com/school/university-of-pittsburgh/
https://media-exp1.licdn.com/dms/image/C4E0BAQF-WX00Sjv9Bg/company-logo_100_100/0/1570126048983?e=1655942400&v=beta&t=CJZtPt5MG9nVi8of1Osvkta03WLyr-iGUIKgcd_ZU14
Chemical Engineering
Bachelor of Science - BS
Western Michigan University
https://www.linkedin.com/school/westernmichu/
https://media-exp1.licdn.com/dms/image/C560BAQE9-K9PnQclIg/company-logo_100_100/0/1633032392527?e=1655942400&v=beta&t=WUCew6RSq20EpXh3VOBnHHonH5dnXaJcuII1HZpQSsc
PITT STRIVE
Scholar
PITT STRIVE is funded by the National Science Foundation (NSF) Alliances for Graduate Education and the Professoriate-Knowledge Adoption and Translation (AGEP-KAT) program. AGEP-KAT funds support the expansion, adoption, and/or adaptation of research findings and evidence-based strategies and practices related to the participation and success of underrepresented minorities (URMs) in STEM graduate education, postdoctoral training, and academic STEM careers at all types of institutions of higher education. The AGEP-KAT award funds Transition to the Doctorate by Adaptable Engagement (TDAE) activities at the University of Pittsburgh’s Swanson School of Engineering to adopt evidence-based strategies to improve academic climate and the success of underrepresented doctoral students in engineering.
American Institute of Chemical Engineers
-
Computationally Guided Searches for Efficient Catalysts through Chemical/Materials Space: Progress and Outlook
The Journal of Physical Chemistry C
Computational quantum chemistry promises to help guide the design of catalysts that are more sustainable and economical. This Feature Article gives a tutorial overview of how our group accounts for the thermodynamics and kinetics of chemical reactions in complex environments. We start with explanations of how to include environmental contributions when modeling homogeneous and heterogeneous catalytic processes. We also provide examples of schemes that use machine learning and alchemical perturbation density functional theory that eschew high computational costs while providing useful insights into chemical reaction mechanisms. With this toolbox of computational methods, we highlight progress in understanding how to reliably model renewable energy catalysis reaction mechanisms that occur in complex environments.
https://doi.org/10.1021/acs.jpcc.0c11345
Quantifying Uncertainties in Solvation Procedures for Modeling Aqueous Phase Reaction Mechanisms
The Journal of Physical Chemistry A
Computational quantum chemistry provides fundamental chemical and physical insights into solvated reaction mechanisms across many areas of chemistry, especially in homogeneous and heterogeneous renewable energy catalysis. Such reactions may depend on explicit interactions with ions and solvent molecules that are nontrivial to characterize. Rigorously modeling explicit solvent effects with molecular dynamics usually brings steep computational costs while the performance of continuum solvent models such as polarizable continuum model (PCM), charge-asymmetric nonlocally determined local-electric (CANDLE), conductor-like screening model for real solvents (COSMO-RS), and effective screening medium method with the reference interaction site model (ESM-RISM) are less well understood for reaction mechanisms. Here, we revisit a fundamental aqueous hydride transfer reaction—carbon dioxide (CO2) reduction by sodium borohydride (NaBH4)—as a test case to evaluate how different solvent models perform in aqueous phase charge migrations that would be relevant to renewable energy catalysis mechanisms. For this system, quantum mechanics/molecular mechanics (QM/MM) molecular dynamics simulations almost exactly reproduced energy profiles from QM simulations, and the Na+ counterion in the QM/MM simulations plays an insignificant role over ensemble averaged trajectories that describe the reaction pathway. However, solvent models used on static calculations gave much more variability in data depending on whether the system was modeled using explicit solvent shells and/or the counterion. We pinpoint this variability due to unphysical descriptions of charge-separated states in the gas phase (i.e., self-interaction errors), and we show that using more accurate hybrid functionals and/or explicit solvent shells lessens these errors. This work closes with recommended procedures for treating solvation in future computational efforts in studying renewable energy catalysis mechanisms.
https://doi.org/10.1021/acs.jpca.0c08961
First-principles modeling of chemistry in mixed solvents: Where to go from here?
The Journal of Chemical Physics
Mixed solvents (i.e., binary or higher order mixtures of ionic or nonionic liquids) play crucial roles in chemical syntheses, separations, and electrochemical devices because they can be tuned for specific reactions and applications. Apart from fully explicit solvation treatments that can be difficult to parameterize or computationally expensive, there is currently no well-established first-principles regimen for reliably modeling atomic-scale chemistry in mixed solvent environments. We offer our perspective on how this process could be achieved in the near future as mixed solvent systems become more explored using theoretical and computational chemistry. We first outline what makes mixed solvent systems far more complex compared to single-component solvents. An overview of current and promising techniques for modeling mixed solvent environments is provided. We focus on so-called hybrid solvation treatments such as the conductor-like screening model for real solvents and the reference interaction site model, which are far less computationally demanding than explicit simulations. We also propose that cluster-continuum approaches rooted in physically rigorous quasi-chemical theory provide a robust, yet practical, route for studying chemical processes in mixed solvents.
https://aip.scitation.org/doi/full/10.1063/1.5143207
Advances and challenges in modeling solvated reaction mechanisms for renewable fuels and chemicals
WIREs Computational Molecular Science
We provide a critical overview of progress and challenges in computationally modeling multistep reaction mechanisms relevant for catalysis and electrocatalysis. We first discuss how the chemical and materials space of energetically efficient catalysis can be explored with computational chemistry. Since reactions for renewable energy catalysis can involve acid–base chemistry and/or ions under aqueous conditions, we then summarize how solvation can be modeled with quantum chemistry schemes using implicit, mixed implicit/explicit, and fully explicit solvation modeling. We will discuss the insights (and limitations) of these solvation models primarily through the scope of understanding CO2 reduction reaction mechanisms, but these will also be applicable for future work elucidating other reaction mechanisms of critical importance for human sustainability such as H2O oxidation and N2 reduction.
https://onlinelibrary.wiley.com/doi/abs/10.1002/wcms.1446
R. K. Mellon Graduate Fellow
University of Pittsburgh Center for Energy
Honorable Mention - Graduate Research Fellowships Program
National Science Foundation
PITT STRIVE Scholar
UNIVERSITY OF PITTSBURGH SWANSON SCHOOL OF ENGINEERING OFFICE OF DIVERSITY
PITT STRIVE is funded by the National Science Foundation (NSF) Alliances for Graduate Education and the Professoriate-Knowledge Adoption and Translation (AGEP-KAT) program. AGEP-KAT funds support the expansion, adoption, and/or adaptation of research findings and evidence-based strategies and practices related to the participation and success of underrepresented minorities (URMs) in STEM graduate education, postdoctoral training, and academic STEM careers at all types of institutions of higher education. The AGEP-KAT award funds Transition to the Doctorate by Adaptable Engagement (TDAE) activities at the University of Pittsburgh’s Swanson School of Engineering to adopt evidence-based strategies to improve academic climate and the success of underrepresented doctoral students in engineering.
College of Engineering and Applied Sciences Scholarship
Western Michigan University
MI-LSAMP Scholar
Western Michigan University
WMU Dean's Scholarship
Western Michigan University
https://www.linkedin.com/in/codyfridley
Cody Fridley, EIT
Packaging Manager at Short’s Brewing Company
Bellaire, MI
https://in.linkedin.com/in/kunal-dalal-734922106
Kunal Dalal
--
India
https://www.linkedin.com/in/shuyu-yang-b51715148
Shuyu Yang
Master Thesis Student at University of Pittsburgh Swanson School of Engineering
Pittsburgh, PA
https://www.linkedin.com/in/kunal-dalal-002635a1
Kunal Dalal
Production Engineer
River Falls, WI
https://www.linkedin.com/in/shantanu-rachalwar
Shantanu Rachalwar
Engineering Manager at Moxie Solar
Coralville, IA
https://in.linkedin.com/in/kunal-singh-89b44130
Kunal Singh
Wolves of Dalal Street!
Pune
https://in.linkedin.com/in/disha-mohite-b424131a0
Disha Mohite
Tata Consultancy Services|Engineering & Industry Services | CAD Engineer
Pune
https://www.linkedin.com/in/jeff-marcinkowski-aa76011b4
Jeff Marcinkowski
Fruitland Township Supervisor at Fruitland Township
Whitehall, MI
https://au.linkedin.com/in/nirajshah115
Niraj Shah
Product Development Engineer at tna solutions Pty Ltd.
Burwood, NS
https://in.linkedin.com/in/resham-chaudhari-2b74a71aa
Resham Chaudhari
System Engineer at Infosys
Pune
https://www.linkedin.com/in/stephanie-buglione
Stephanie Buglione
First-generation college graduate with a B.S. in Geochemistry from Western Michigan University seeking a full-time position in the space industry.
Kalamazoo, MI
https://www.linkedin.com/in/kaylajbenda
Kayla Benda
Founder of Oh, Hello Companies | Product Photography | Social Media | Inbound Marketing
Grand Rapids Metropolitan Area
https://www.linkedin.com/in/laura-l-676a614b
Laura L.
Computer Engineer, Software Engineer, Engineering Management
Lapeer, MI
https://www.linkedin.com/in/steve-handloser-8720241a4
Steve Handloser
Bachelor's degree at Kettering University
Sterling Heights, MI
https://www.linkedin.com/in/belston
Brittanie Elston
Client Account Manager at VIVE - Vendor Information Verification Experts
Flint, MI
https://www.linkedin.com/in/stephen-hunter-585260140
Stephen Hunter
Sr. Associate II, QC Sample Control (Lead)
Raleigh, NC
https://www.linkedin.com/in/brandon-foster-48218191
Brandon Foster
HEV Advanced Engineer at Yazaki North America
Detroit Metropolitan Area
https://www.linkedin.com/in/robert-clisch-a61304154
Robert Clisch
Senior Designer at Compass Tech International
Plymouth, MI
https://www.linkedin.com/in/piao-jian-tan-a58514101
Piao Jian Tan
Research Technician w/ Iris Dx, Inc., Part-time Student (PhD) in Western Michigan Univeristy
Greater Kalamazoo Area
Very honored to be recognized on WMU’s The 30 list for Haworth College of Business. Great day to be a Bronco! 🤎💛 #wmu #the30
https://www.linkedin.com/signup/cold-join
Liked by Alex Maldonado
Dear Friends,I will be retiring at the end of this year (after over 35 years at WMU)  and my last lecture in an in-person classroom will be on Dec.…
https://www.linkedin.com/signup/cold-join
Liked by Alex Maldonado
This is what Mars looks like at night! quite different!!!
https://www.linkedin.com/signup/cold-join
Liked by Alex Maldonado
Alex Maldonado
https://ec.linkedin.com/in/alex-maldonado-2aaa463b
CEO - Agrobimsa S.A.
Ecuador
Alex Maldonado
https://www.linkedin.com/in/alexmaldonado89
Visual communication & Design | Photographer
Greater Chicago Area
Alex Maldonado
https://www.linkedin.com/in/alex-maldonado-78375941
Accounting specialist / Payroll Administrator manager at Mintex inc
Greater Chicago Area
Alex Maldonado
https://ec.linkedin.com/in/alex-maldonado-9b09ab43
Gerente General en BioBac
Ecuador
Alex Maldonado
https://fr.linkedin.com/in/alex-maldonado-285b0a1b7
Final Year Media and Communications | Multicultural | ENG/FR/ESP | Outgoing | Energetic | Optimistic | Determined | Team player
Crespières
https://media-exp1.licdn.com/dms/image/C4E07AQGDaOnzJoJdXQ/group-logo_image-shrink_200x200/0/1631378199388?e=1647691200&v=beta&t=Q93472vDmBHz9MSo1v0bdGe6rVXeLu2zzdt5M-uaBec
Engineers Without Borders USA
https://www.linkedin.com/groups/45905
https://media-exp1.licdn.com/dms/image/C4D07AQGgrF2txLxtVQ/group-logo_image-shrink_200x200/0/1631371396642?e=1647691200&v=beta&t=DRgvoDAzEtepdp28-ALut3JU9AezvzhCDS0OSkaQiOM
Biomedical Engineering Society Network
https://www.linkedin.com/groups/1236517