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Recent Faculty Publications

Omar Abdelrahman

  • A. Lawal and O. A. Abdelrahman, “Paired Site Characterization in Aluminosilicate Zeolites through Limited Alkylammonium Stability.” J. Phys. Chem. C [DOI], 2023
  • F. Villariny-Rosado and O. A. Abdelrahman, A dynamic window of opportunity for accelerated electrochemistry.”, Chem Catalysis 2, 3273-3274 [DOI], 2022
  • T. M. Onn, S. R. Gathmann, S. Guo, S. S. Solanki, A. Walton, B. J. Page, G. Rojas, M. Neurock, L. C. Grabow, K. A. Mkhoyan, O. A. Abdelrahman, C. D. Frisbie, and P. J. Dauenhauer, “Platinum Graphene Catalytic Condenser for Millisecond Programmable Metal Surfaces.” Journal of the American Chemical Society, 144, 22113-22127 [DOI]  , 2022

Vemuri Balakotaiah

  • E. Tegeler, Y. Cui, M. Masoudi, A. M. Bahmanpour, T. Colbert, J. Hensel and V. Balakotaiah, , “A novel contactor for reducing the cost of direct air capture of CO2”, Chemical Engineering Science. https://doi.org/10.1016/j.ces.2023.119107   , 2023
  • J. Chen, Z. Sun, P. Bollini and V. Balakotaiah, “Scale-up Analysis of the Oxidative Dehydrogenation of Ethane over MoVTeNbOx Catalysts in an Autothermal Reactor”, Chemical Engineering Science, 273, 118649, 2023
  • M. Taghavi, B. J. Motil, H. Nahra and V. Balakotaiah, “The International Space Station Packed-Bed Reactor Experiment: Capillary Effects in Gas-Liquid Two-Phase Flows”, NPJ Microgravity 9:55. https://doi.org/10.1038/s41526-023-00302-2, 2023

Anil K. Bhowmick

  • A Roy, T Mondal, S Kar, K Naskar, R Ghosal, R Mukhopadhyay, Anil K. Bhowmick, Study of reinforcement mechanism and structural elucidation of expanded graphite‐carbon black hybrid filler‐SBR nanocomposites through comprehensive analysis of mechanical properties and SAXS, Journal of Applied Polymer Science, 49093, 2020
  • D Nandi, VB Mohan, AK Bhowmick, D Bhattacharyya, Metal/metal oxide decorated graphene synthesis and application as supercapacitor: a review, Journal of Materials Science, 1-26, 2020
  • KP Surya, S Bhattacharya, R Mukhopadhyay, K Naskar, AK Bhowmick, Natural rubber nanocomposites based on new fibrous nanofillers with improved barrier properties for use in tire innerliner applications, Rubber Chemistry and Technology, 000-000, 2020

Praveen Bollini

  • Afrin, S., Bollini, P, On the Utility of Ce3+ Spin-Orbit Transitions in the Interpretation of Rate Data in Ceria Catalysis: Theory, Validation, and Application, J. Phys. Chem. C, 127 234-247, 2023
  • Chen, J., Bollini, P., Balakotaiah, V., Shallow-Bed Reactor Design for the Autothermal Oxidative  Dehydrogenation of Ethane over MoVTeNbOx Catalysts Chem. Eng. J. 474 45660-145672, 2023
  • Hall, J. N., Kropf, J., Delferro, M, Bollini, P., Kinetic and X‑ray Absorption Spectroscopic Analysis of Catalytic Redox Cycles over Highly Uniform Polymetal Oxo Clusters, ACS Catal. 13 5406−5427, 2023

Patrick C. Cirino

  • A Doshi, I Bandey, D Nevozhay, N Varadarajan, PC Cirino, Design and characterization of a salicylic acid-inducible gene expression system for Jurkat cells. Journal of Biotechnology 346, 11-14, 2022
  • Y Wang, N Nguyen, SH Lee, Q Wang, JA May, R Gonzalez, PC Cirino, Engineering Escherichia coli for anaerobic alkane activation: Biosynthesis of (1‐methylalkyl)succinates. Biotechnology and Bioengineering 119 (1), 315-320, 2022
  • A Doshi, F Sadeghi, N Varadarajan, PC Cirino, Small-molecule inducible transcriptional control in mammalian cells. Critical Reviews in Biotechnology 40 (8), 1131-1150, 2020

Jacinta C. Conrad

  • D. D. Soetrisno, C. D. V. Martínez Narváez, V. Sharma, and J. C. Conrad, “Concentration regimes for extensional relaxation times of unentangled polymer solutions.” Macromolecules 56, 4919 – 4928 [DOI], 2023
  • D. Fan, S. Ramezani Bajgiran, F. Safi Samghabadi, C. Dutta, E. Gillett, P. J. Rossky, J. C. Conrad, A. B. Marciel, and C. F. Landes,  “Imaging heterogeneous 3D dynamics of individual solutes in a polyelectrolyte brush.” Langmuir 39, 8532 – 8539 [DOI] , 2023
  • F. Khakzad, N. K. Dewangan, T.-H. Li, F. Safi Samghabadi, R. Herrera Monegro, M. L. Robertson, and J. C. Conrad, “Fouling resistance and release properties of poly(sulfobetaine) brushes with varying alkyl chain spacer lengths and molecular weights.” ACS Appl. Mater. Interfaces 15, 2009 – 2019 [DOI], 2023

Birol Dindoruk

  • He, J., and Dindoruk, B., “Modeling Pore Proximity Using a Modified Simplified Local Density (SLD) Approach,” Journal of Petroleum Science and Engineering, 2019
  • Ratnakar, R. and Dindoruk, B., “A New Technique for Simultaneous Measurement of Nano-Darcy Range Permeability and Adsorption Isotherms of Tight Rocks Using Magnetic Suspension Balance” SPE-191504-PA “Society of Petroleum Engineers Journal, 2019
  • Ratnakar, R. and Dindoruk, B., “Effect of GOR on Gas Diffusivity in Reservoir Fluid Systems: Experimental investigation and Analysis,” SPE 191531-PA, Society of Petroleum Engineers Journal, 2019

Vincent M. Donnelly

  • Arora, P., et al., "Role of sulfur in catalyzing fluorine atom fast etching of silicon with smooth surface morphology." Journal of Vacuum Science & Technology A 37(6)., 2019
  • Chen, Y. M., et al., "Nearly monoenergetic positive ion beam with self-neutralized space charge extracted from a pulsed plasma." Journal of Physics D-Applied Physics 52(35)., 2019
  • List, T., et al, "Complex transients in power modulated inductively-coupled chlorine plasmas." Plasma Sources Science & Technology 28(2)., 2019

Demetre J. Economou

  • L. F. Du, D. J. Economou, and V. M. Donnelly, “In-plasma Photo-Assisted Etching of Si With Chlorine Aided by an External Vacuum Ultraviolet Source,” J. Vac. Sci. Technol. B, 40, 022207, doi.org/10.1116/6.0001710. Special topic collection on Plasma Processing for Advanced Microelectronics. This article was selected a JVST Editor’s Pick., 2022
    Link to file
  • L. F. Du, P. Ruchhoeft, D. J. Economou, and V. M. Donnelly, “Absolute Measurement of Vacuum Ultraviolet Photon Flux in an Inductively Coupled Plasma Using a Au Thin Film,” J. Vac. Sci. Technol. B, 40, 022206, doi.org/10.1116/6.0001709. Special topic collection on Plasma Processing for Advanced Microelectronics, 2022
    Link to file
  • T. Nguyen, P. Lin, D. J. Economou and V. M. Donnelly, “Optical Emission Self-Actinometry for Measuring Absolute Number Densities of Air Species Diffusing Into a Helium Atmospheric Pressure Plasma Jet,” J. Phys. D: Appl. Phys, 54, 405203, doi.org/10.1088/1361-6463/ac10a2, 2021
    Link to file

Micky Fleischer

  • Fleischer, M.T., Cathy Cortez-Lambert, Diseye Komonibo, Guoda Liang, Jose Tusell, and Sukhpal Singh, “Steam-Methane Reforming Hydrogen Generation Plant,” AIChE Spring Meeting, 2014
  • M. T. Fleischer, Thermodynamics: Fundamentals and Applications for Chemical Engineers, Second Edition, Cognella Academic Publishing (ISBN: 978-1-5165-2668-0), 2018
  • M. T. Fleischer and H. W. Prengle, Jr., Thermodynamics: Fundamentals and Applications for Chemical Engineers, First Edition, Cognella, 2013 (ISBN: 978-1-62131-643-5). Revised, 2014

Lars C. Grabow

  • A. Mahdavi-Shakib, T. N. Whittaker, T. Yong Yun, K. B. S. Kumar, L. C. Rich, S. Wang, R. M. Rioux, L. C. Grabow, and B. D. Chandler, "The role of surface hydroxyls in the entropy-driven adsorption and spillover of H2 on Au/TiO2 catalyst", Nature Catalysis 6, 710-719 [DOI], 2023
  • D. S. Mallapragada, Y. Dvorkin, M. Modestino, D. V. Esposito, W. Smith, B.-M. Hodge, M. P. Harold, V. M. Donnelly, A. Nuz, C. Bloomquist, K. Baker, L. C. Grabow, Y. Yan, N. N. Rajput, R. Hartman, E. J. Biddinger, E. Aydil, and A. Taylor, "Decarbonization of the Chemical Industry through Electrification: Barriers and Opportunities", Joule 7, 23–41 [DOI], 2023
  • Y. Song, S. Svadlenak, T. Bathena, M. J. Hazlett, W. S. Epling, K. A. Goulas, and L. C. Grabow, "PdCu alloy catalyst for inhibition-free, low-temperature CO oxidation", ChemCatChem - accepted [DOI], 2023

Michael P. Harold

  • Mallapragada, D.S., Y. Dvorkin, M. Modestino, D. V. Esposito, W. Smith, B.-M. Hodge, M. P. Harold, V. M. Donnelly, A. Nuz, C. Bloomquist, K. Baker, L. C. Grabow, Y. Yan, N. Nidhi Rajput, R. Hartman, E. Biddinger, E. Aydil, A. Taylor, “Decarbonization of the Chemical Industry through Electrification: Barriers and Opportunities,” Joule, 7, 23-41 [https://doi.org/10.1016/j.joule.2022.12.008], 2023
  • Ratcliff, J., K. Karinshak, P.W. Chen, and M.P. Harold, “Rich Methane Oxidation on Pt+Pd/Al2O3: Steady State Performance, Multiplicity Features, and Spatial Patterns”, Chem. Eng. Sci., 282, 119269 [https://doi.org/10.1016/j.ces.2023.119269], 2023
  • Song, G., W. Zhou, C. Li, F. Hu, T. Wang, Z. Li, A. Tang, M.P. Harold, and S. Kawi, , “Semi-hollow LTA zeolite membrane for water permeation in CO2 hydrogenation to methanol,” J. Membrane Sci., 678, 121666 [https://doi.org/10.1016/j.memsci.2023.121666], 2023

Jerrod A. Henderson

  • Henderson, J. A., Junqueira, W., Benjamin, L. S. S., Hines, E. M., Alarcón, J. D., Davis, J. L., & Cavazos, S., “Circle of success – An interpretative phenomenological analysis of how Black engineering students experience success.” J. Eng. Ed. 112, 403 – 4017 [https://doi.org/10.1002/jee.20509], 2023
  • Henderson, J.A., McGowan, B., Wawire, J., Benjamin, L., Schaefer, K., & Alarcón, J.D., “Photovoice: Visualizing the Engineering Identity Experiences of Sophomore Students.” Journal of Engineering Education 112(4), 1145–1166 [https://doi.org/10.1002/jee.20555], 2023
  • Herrera, L., Schaefer, K. L., Benjamin, L. S. S., & Henderson, J. A., “Flash On: Capturing Minoritized Engineering Students’ Persistence through Photovoice Research.” Sustainability, 15(6), 5311. [https://doi.org/10.3390/su15065311], 2023

Alamgir Karim

  • Bera, S. et al. , 2D-Nanofiller-Based Polymer Nanocomposites for Capacitive Energy Storage Applications. Small Science 3, 2023
  • Likhi, F. H. et al. , Effects of Film Confinement on Dielectric and Electrical Properties of Graphene Oxide and Reduced Graphene Oxide-Based Polymer Nanocomposites: Implications for Energy Storage. ACS Appl Nano Mater 6, 11699–11714, 2023
  • Shanbedi, M., Ardebili, H. & Karim, A. , Polymer-based triboelectric nanogenerators: Materials, characterization, and applications. Prog Polym Sci 144, 101723, 2023

Katerina Kourentzi

  • Brosamer K, Kourentzi K, Willson RC, Vu BB., Glowstick-inspired smartphone-readable reporters for sensitive, multiplexed lateral flow immunoassays. Commun Eng. 2:31, 2023
  • Chabi M, Vu B, Brosamer K, Smith M, Chavan D, Conrad JC, Willson RC, Kourentzi K., Smartphone-read phage lateral flow assay for point-of-care detection of infection. Analyst. 148(4):839-848, 2023
  • Danthanarayana AN, Nandy S, Kourentzi K, Vu B, Shelite TR, Travi BL, Brgoch J, Willson RC., Smartphone-readable RPA-LFA for the high-sensitivity detection of Leishmania kDNA using nanophosphor reporters. PLoS Negl Trop Dis. 17(7):e0011436, 2023

Ramanan Krishnamoorti

  • Datta, A. and R. Krishnamoorti, "Opportunities for a Low Carbon Transition-Deploying Carbon Capture, Utilization, and Storage in Northeast India." Frontiers in Energy Research 7., 2019
  • Poling-Skutvik, R., et al., "Structure Dominates Localization of Tracers within Aging Nanoparticle Glasses." Journal of Physical Chemistry Letters 10(8): 1784-1789., 2019
  • Babayekhorasani, F., Dunstan, D. E., Krishnamoorti, R., & Conrad, J. C., "Nanoparticle dispersion in disordered porous media with and without polymer additives" Soft Matter, 12(26), 5676-5683, DOI: 10.1039/c6sm00502k,, 2016

Dan Luss

  • Dadi, R. K., Luss, D., & Balakotaiah, V., "Bifurcation features of mixtures containing CO and hydrocarbons in diesel oxidation catalyst", Chemical Engineering Journal, 304, 941-952, DOI: 10.1016/j.cej.2016.06.119, 2016
  • Dadi, R. K., Luss, D., & Balakotaiah, V., "Dynamic hysteresis in monolith reactors and hysteresis effects during co-oxidation of CO and C2H6", Chemical Engineering Journal, 297, 325-340, DOI: 10.1016/j.cej.2016.03.139, 2016
  • Zheng, Y., Harold, M. P., & Luss, D., "Effects of CO, H-2 and C3H6 on Cu-SSZ-13 catalyzed NH3-SCR", Catalysis Today, 264, 44-54, DOI: 10.1016/j.cattod2015.06.028, 2016

Triantafillos J. (Lakis) Mountziaris

  • CA Beach, KE Joseph, PJ Dauenhauer, CS Spanjers, AJ Jones, "Complete carbon analysis of sulfur‐containing mixtures using postcolumn reaction and flame ionization detection," AIChE Journal 63 (12), 5438-5444, 2017
  • H Yang, R Coolman, P Karanjkar, H Wang, P Dornath, H Chen, W Fan, ..., The effects of contact time and coking on the catalytic fast pyrolysis of cellulose. Green Chemistry 19 (1), 286-297, 2017
  • J Gou, Z Wang, C Li, X Qi, V Vattipalli, YT Cheng, G Huber, WC Conner, ..., The effects of ZSM-5 mesoporosity and morphology on the catalytic fast pyrolysis of furan. Green Chemistry 19 (15), 3549-3557, 2017

Michael Nikolaou

Mehmet Orman

  • G. Singh, M.A. Orman, J.C. Conrad, and M. Nikolaou, “Systematic Design of Pulse Dosing to Eradicate Persister Bacteria”. PLoS Computational Biology, 19(1), p.e1010243 [DOI], 2023
  • S.G. Mohiuddin, A. Massahi, and M.A. Orman, “Lon Deletion Impairs Persister Cell Resuscitation in Escherichia coli”. Mbio, 13(1), pp. e02187-21 [DOI], 2022
  • S.G. Mohiuddin, S. Ghosh, and M.A. Orman, “Proton motive force inhibitors are detrimental to methicillin-resistant Staphylococcus aureus strains”, Microbiology Spectrum, 10(4), pp.e02024-22 [DOI], 2022

Jeremy Palmer

  • Chen, R. J., et al, "Influence of polymer flexibility on nanoparticle dynamics in semidilute solutions." Soft Matter 15(6): 1260-1268., 2019
  • Howard, M. P., et al., "Modeling hydrodynamic interactions in soft materials with multiparticle collision dynamics." Current Opinion in Chemical Engineering 23: 34-43., 2019
  • Kim, S. B., Palmer, J. C., & Debenedetti, P. G., "Computational investigation of cold denaturation in the Trp-cage miniprotein", Proceedings of the National Academy of Sciences of the United States of America, 113(32), 8991-8996 [DOI], 2016

Joseph B. Powell

  • D. Smit and J. B. Powell, The Role of International Oil Companies in the Energy Transition, invited paper, Annual Reviews of Chemical and Biological Engineering, Volume 14, accepted for publication, 2023
  • Joseph B. Powell and S. v. Bavel, “Chapter 11, Methane Direct Conversion: An Industrial View” in Methane Conversion Routes – Status and Prospects, ed by Rene Bos, in press, Royal Society of Chemistry, 2022
  • National Academies of Sciences, Engineering, and Medicine, Carbon Dioxide Utilization Markets and Infrastructure: Status and Opportunities: A First Report. Washington, DC: The National Academies Press. https://doi.org/10.17226/26703. Carbon Dioxide Utilization Markets and Infrastructure: Status and Opportunities: A First Report |The National Academies Press, 2022

Jeffrey Rimer

  • T.T. Le, W. Qin, N. Nikolopoulos, D. Fu, M.D. Patton, C. Weiland, S.R. Bare, B.M. Weckhuysen, J.D. Rimer, “Elemental Zoning Enhances Mass Transport in Zeolite Catalysts,” Nature Catalysis 6, 254-265 [DOI]  , 2023
  • W. Tang,, T. Yang, C.A. Morales-Rivera, X. Geng, V.K. Srirambhatla, A.J. Florence, H. Mo, H.A. Calderon, C. Kisielowski, F. Robles Hernandez, X. Zou, G. Mpourmpakis, J.D. Rimer, “Tautomerism Unveils a Self-Inhibition Mechanism of Crystallization,” Nature Communications 14, 561 [DOI], 2023
  • R. Jain, A. Chawla, N. Linares, J. Garcia-Martinez, J.D. Rimer, “Spontaneous Pillaring of Pentasil Zeolites,” Advanced Materials 33, 2100897 [DOI], 2021

Megan Robertson

  • Conrad, J. C.; Robertson, M. L. , Shaping the Structure and Response of Surface-Grafted Polymer Brushes via the Molecular Weight Distribution. JACS Au 3, 333–343 [DOI], 2023
  • Khakzad, F.; Dewangan, N. K.; Li, T. H.; Samghabadi, F. S.; Herrera Monegro, R.; Robertson, M. L.; Conrad, J. C., Fouling Resistance and Release Properties of Poly(sulfobetaine) Brushes with Varying Alkyl Chain Spacer Lengths and Molecular Weights. ACS Applied Materials & Interfaces 15, 1, 2009-2019 [DOI], 2023
  • Qiu, J.; Chen, X.; Le, A.; López-Barrón, C. R.; Rohde, B. J.; White, R. P.; Lipson, J. E. G.; Krishnamoorti, R.; Robertson, M. L, Thermodynamic Interactions in Polydiene/Polyolefin Blends Containing Diverse Polydiene and Polyolefin Units. Macromolecules 56, 2286-2297 [DOI], 2023

Navin Varadarajan

  • K. L. Wu, M. Martinez-Paniagua, K. Reichel, P. Menon, S. Deo, B. Roysam, and N. Varadarajan, “Automated detection of apoptotic bodies and cells in label-free time-lapse high-throughput video microscopy using deep convolutional neural networks.” Bioinformatics. 39, btad584 [doi:10.1093/bioinformatics/btad584], 2023
  • M. Fathi, M. Martinez-Paniagua, A. Rezvan, M. J. Montalvo, V. Mohanty, K. Chen, S. A. Mani, and N. Varadarajan, “Identifying signatures of EV secretion in metastatic breast cancer through functional single-cell profiling.” iScience. 26, 106482. [doi:10.1016/j.isci.2023.106482], 2023
  • A. Doshi, I. N. Bandey, D. Nevozhay, N. Varadarajan, and P.C. Cirino, “Design and characterization of a salicylic acid-inducible gene expression system for Jurkat cells.” J Biotechnol. 346, 11-14. [doi:10.1016/j.jbiotec.2022.01.003], 2022

Peter Vekilov

  • Ma, W.; Balta, V.A.; Pan, W.; Rimer, J.D.; Sullivan, D.J.; Vekilov, P.G., Nonclassical mechanisms to irreversibly suppress β-hematin crystal growth. Communications Biology 6, 783, 2023
  • Vekilov, P.G.; Wolynes, P.G. , Time-Resolved In Situ AFM Measurement of Growth Rates of Aβ40 Fibrils. In Protein Aggregation: Methods and Protocols, Cieplak, A.S., Ed.; Springer US: New York, NY, 2023; pp. 63-77., 2023
  • D. S. Yang, A. Saeedi, A. Davtyan, M. Fathi, M.B. Sherman, M. S. Safari, A. Klindziuk, M. C. Barton, N. Varadarajan, A. B. Kolomeisky, P.G.Vekilov, Mesoscopic protein-rich clusters host the nucleation of mutant p53 amyloid fibrils. Proceedings of the National Academy of Sciences of the USA 118, e2015618118, doi:10.1073/pnas.2015618118, 2021

Binh Vu

  • Brosamer K, Kourentzi K, Willson RC, Vu B., Glowstick-inspired smartphone-readable reporters for sensitive, multiplexed lateral flow immunoassays. Communications Engineering. Nature Publishing Group UK London; 2: 31., 2023
  • Chabi M, Vu B, Brosamer K, Smith M, Chavan D, Conrad JC, Willson RC, Kourentzi K. , Smartphone-read phage lateral flow assay for point-of-care detection of infection. Analyst. Royal Society of Chemistry; 148: 839–848., 2023
  • Danthanarayana AN, Nandy S, Kourentzi K, Vu B, Shelite TR, Travi BL, Brgoch J, Willson RC., Smartphone-readable RPA-LFA for the high-sensitivity detection of Leishmania kDNA using nanophosphor reporters. PLoS Negl Trop Dis. Public Library of Science San Francisco, CA USA; 17: e0011436., 2023

Mingjian Wen

  • Wen: M Wen, EWC Spotte-Smith, SM Blau, MJ McDermott, AS Krishnapriyan, KA Persson, “Chemical reaction networks and opportunities for machine learning.” Nature Computational Science, 3, 12-24, https://doi.org/10.1038/s43588-022-00369-z, 2023
  • M Wen, SM Blau, X Xie, S Dwaraknath, and KA Persson, Improve machine learning performance on small chemical reaction data with unsupervised contrastive pretraining.” Chemical Science, 13, 1446-1458, https://doi.org/10.1039/D1SC06515G, 2022
  • Z Shui, M Wen, DS Karls, IA Nikiforov, EB Tadmor, and G Karypis, “Injecting domain knowledge from empirical interatomic potentials to neural networks for predicting material properties.” Advances in Neural Information Processing Systems 35 (NeurIPS), https://doi.org/10.48550/arXiv.2210.08047, 2022

Richard C. Willson

  • Brosamer K, Kourentzi K, Willson RC, Vu BV, Glowstick-inspired smartphone-readable reporters for sensitive, multiplexed lateral flow immunoassays. Communications Engineering 2, 31-36, 2023
  • Danthanarayana AN, Nandy S, Kourentzi K, Vu B, Shelite TR, Travi BL, Brgoch J, Willson RC. , Smartphone-readable RPA-LFA for the high-sensitivity detection of Leishmania kDNA using nanophosphor reporters. PLoS Negl Trop Dis.17(7):e0011436. doi: 10.1371/journal.pntd.0011436, 2023
  • Goyal A, Vu B, Maranholkar V, Patil U, Kourentzi K, Willson RC, Continuous monitoring of IgG using immobilized fluorescent reporters. Biotechnol Bioeng.120(2):482-490. doi: 10.1002/bit.28254, 2023

Gül Zerze

  • Zerze G.H., “Optimizing the Martini 3 force field reveals the effects of the intricate balance between protein-water interaction strength and salt concentration on biomolecular condensate formation.” Journal of Chemical Theory and Computation, (in press) [DOI], 2023
  • Zerze: Rahimi K., Piaggi P.M., Zerze G.H., “Comparison of On-the-Fly Probability Enhanced Sampling and Parallel Tempering Combined with Metadynamics for Atomistic Simulations of RNA Tetraloop Folding” Journal of Physical Chemistry 127(21), 4722–4732 [DOI], 2023
  • Zerze G.H., Piaggi P.M., Debenedetti P.G., “A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded State.” Journal of Physical Chemistry, 25(50), 13865–13895 [DOI], 2021

Gül Zerze

  • Zerze G.H., “Optimizing the Martini 3 force field reveals the effects of the intricate balance between protein-water interaction strength and salt concentration on biomolecular condensate formation.” Journal of Chemical Theory and Computation, (in press) [DOI], 2023
  • Zerze: Rahimi K., Piaggi P.M., Zerze G.H., “Comparison of On-the-Fly Probability Enhanced Sampling and Parallel Tempering Combined with Metadynamics for Atomistic Simulations of RNA Tetraloop Folding” Journal of Physical Chemistry 127(21), 4722–4732 [DOI], 2023
  • Zerze G.H., Piaggi P.M., Debenedetti P.G., “A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded State.” Journal of Physical Chemistry, 25(50), 13865–13895 [DOI], 2021