Fernando Escobedo - Publications

Cornell University, Ithaca, NY, United States 
Chemical Engineering, Mathematics

66 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2019 Nowak C, Misra M, Escobedo FA. Framework for inverse mapping chemistry-agnostic coarse-grained simulation models into chemistry-specific models. Journal of Chemical Information and Modeling. PMID 31743643 DOI: 10.1021/Acs.Jcim.9B00232  0.48
2019 Dong BX, Liu Z, Misra M, Strzalka J, Niklas J, Poluektov OG, Escobedo FA, Ober CK, Nealey PF, Patel SN. Structure Control of a π-Conjugated Oligothiophene-Based Liquid Crystal for Enhanced Mixed Ion/Electron Transport Characteristics. Acs Nano. PMID 31194507 DOI: 10.1021/Acsnano.9B01055  0.48
2018 Mahajan SP, Meksiriporn B, Waraho-Zhmayev D, Weyant KB, Kocer I, Butler DC, Messer A, Escobedo FA, DeLisa MP. Computational affinity maturation of camelid single-domain intrabodies against the nonamyloid component of alpha-synuclein. Scientific Reports. 8: 17611. PMID 30514850 DOI: 10.1038/S41598-018-35464-7  0.36
2018 Nowak C, Escobedo FA. Stability of the Gyroid Phase in Rod-Coil Systems via Thermodynamic Integration with Molecular Dynamics. Journal of Chemical Theory and Computation. PMID 30216720 DOI: 10.1021/acs.jctc.8b00419  0.48
2017 Sun Y, Padmanabhan P, Misra M, Escobedo FA. Molecular dynamics simulation of thermotropic bolaamphiphiles with a swallow-tail lateral chain: formation of cubic network phases. Soft Matter. PMID 29095474 DOI: 10.1039/C7Sm01819C  0.48
2016 Avendaño C, Jackson G, Müller EA, Escobedo FA. Assembly of porous smectic structures formed from interlocking high-symmetry planar nanorings. Proceedings of the National Academy of Sciences of the United States of America. PMID 27540114 DOI: 10.1073/Pnas.1604717113  1
2016 Savoy ES, Escobedo FA. Molecular simulation of the effects of humidity and of interfacial Si- and B-hydroxyls on the adhesion energy between glass plates. Journal of Colloid and Interface Science. 465: 233-41. PMID 26674240 DOI: 10.1016/j.jcis.2015.11.024  1
2016 Khadilkar MR, Escobedo FA. Phase behavior of polyhedral nanoparticles in parallel plate confinement. Soft Matter. 12: 1506-16. PMID 26659811 DOI: 10.1039/c5sm02570b  0.48
2016 Padmanabhan P, Martinez-Veracoechea F, Escobedo FA. Computation of Free Energies of Cubic Bicontinuous Phases for Blends of Diblock Copolymer and Selective Homopolymer Macromolecules. 49: 5232-5243. DOI: 10.1021/acs.macromol.6b00123  1
2016 Wang E, Escobedo FA. Mechanical Properties of Tetrapolyethylene and Tetrapoly(ethylene oxide) Diamond Networks via Molecular Dynamics Simulations Macromolecules. 49: 2375-2386. DOI: 10.1021/acs.macromol.5b02516  1
2015 Turgman-Cohen S, Giannelis EP, Escobedo FA. Transport Properties of Amine/Carbon Dioxide Reactive Mixtures and Implications to Carbon Capture Technologies. Acs Applied Materials & Interfaces. 7: 17603-13. PMID 26200117 DOI: 10.1021/Acsami.5B04153  1
2014 Khadilkar MR, Escobedo FA. Heuristic rule for binary superlattice coassembly: mixed plastic mesophases of hard polyhedral nanoparticles. Physical Review Letters. 113: 165504. PMID 25361268 DOI: 10.1103/PhysRevLett.113.165504  0.48
2014 Padmanabhan P, Chavis M, Ober CK, Escobedo FA. Phase behaviour of PMMA-b-PHEMA with solvents methanol and THF: modelling and comparison to the experiment. Soft Matter. 10: 6172-81. PMID 25011061 DOI: 10.1039/C4Sm00856A  1
2014 Aguilera-Mercado BM, Cohen C, Escobedo FA. Sawtooth tensile response of model semiflexible and block copolymer elastomers Macromolecules. 47: 840-850. DOI: 10.1021/Ma4020998  1
2013 Lin NY, Goyal S, Cheng X, Zia RN, Escobedo FA, Cohen I. Far-from-equilibrium sheared colloidal liquids: disentangling relaxation, advection, and shear-induced diffusion. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 88: 062309. PMID 24483446 DOI: 10.1103/Physreve.88.062309  1
2013 Turgman-Cohen S, Araque JC, Hoek EM, Escobedo FA. Molecular dynamics of equilibrium and pressure-driven transport properties of water through LTA-type zeolites. Langmuir : the Acs Journal of Surfaces and Colloids. 29: 12389-99. PMID 24024745 DOI: 10.1021/la402895h  1
2013 Mahajan SP, Velez-Vega C, Escobedo FA. Tilting the balance between canonical and noncanonical conformations for the H1 hypervariable loop of a llama VHH through point mutations. The Journal of Physical Chemistry. B. 117: 13-24. PMID 23231492 DOI: 10.1021/jp3075496  1
2013 Khadilkar MR, Agarwal U, Escobedo FA. Phase behavior of binary mixtures of hard convex polyhedra Soft Matter. 9: 11557-11567. DOI: 10.1039/C3Sm51822A  1
2012 Khadilkar MR, Escobedo FA. Self-assembly of binary space-tessellating compounds. The Journal of Chemical Physics. 137: 194907. PMID 23181335 DOI: 10.1063/1.4765699  0.48
2012 Savoy ES, Escobedo FA. Simulation study of free-energy barriers in the wetting transition of an oily fluid on a rough surface with reentrant geometry. Langmuir : the Acs Journal of Surfaces and Colloids. 28: 16080-90. PMID 23095106 DOI: 10.1021/la303407r  1
2012 Agarwal U, Escobedo FA. Effect of quenched size polydispersity on the ordering transitions of hard polyhedral particles. The Journal of Chemical Physics. 137: 024905. PMID 22803560 DOI: 10.1063/1.4734021  1
2012 Padmanabhan P, Martinez-Veracoechea FJ, Araque JC, Escobedo FA. A theoretical and simulation study of the self-assembly of a binary blend of diblock copolymers. The Journal of Chemical Physics. 136: 234905. PMID 22779617 DOI: 10.1063/1.4729159  1
2012 Hur K, Hennig RG, Escobedo FA, Wiesner U. Predicting chiral nanostructures, lattices and superlattices in complex multicomponent nanoparticle self-assembly. Nano Letters. 12: 3218-23. PMID 22587566 DOI: 10.1021/Nl301209C  1
2012 Savoy ES, Escobedo FA. Molecular simulations of wetting of a rough surface by an oily fluid: effect of topology, chemistry, and droplet size on wetting transition rates. Langmuir : the Acs Journal of Surfaces and Colloids. 28: 3412-9. PMID 22260396 DOI: 10.1021/la203921h  1
2012 Agarwal U, Escobedo FA. Yielding and shear induced melting of 2D mixed crystals of spheres and dimers Soft Matter. 8: 5916-5922. DOI: 10.1039/C2Sm07318H  1
2011 Velez-Vega C, Escobedo FA. Characterizing the structural behavior of selected Aβ-42 monomers with different solubilities. The Journal of Physical Chemistry. B. 115: 4900-10. PMID 21486050 DOI: 10.1021/jp1086575  0.6
2011 Agarwal U, Escobedo FA. Mesophase behaviour of polyhedral particles. Nature Materials. 10: 230-5. PMID 21317901 DOI: 10.1038/Nmat2959  1
2010 Hur K, Hennig RG, Escobedo FA, Wiesner U. Mesoscopic structure prediction of nanoparticle assembly and coassembly: theoretical foundation. The Journal of Chemical Physics. 133: 194108. PMID 21090855 DOI: 10.1063/1.3502680  1
2010 Gerbode SJ, Agarwal U, Ong DC, Liddell CM, Escobedo F, Cohen I. Glassy dislocation dynamics in 2D colloidal dimer crystals. Physical Review Letters. 105: 078301. PMID 20868079 DOI: 10.1103/Physrevlett.105.078301  1
2010 Velez-Vega C, Borrero EE, Escobedo FA. Kinetics and mechanism of the unfolding native-to-loop transition of Trp-cage in explicit solvent via optimized forward flux sampling simulations. The Journal of Chemical Physics. 133: 105103. PMID 20849192 DOI: 10.1063/1.3474803  1
2010 Borrero EE, Contreras Martínez LM, DeLisa MP, Escobedo FA. Kinetics and reaction coordinates of the reassembly of protein fragments via forward flux sampling. Biophysical Journal. 98: 1911-20. PMID 20441755 DOI: 10.1016/J.Bpj.2009.12.4329  1
2010 Kalra V, Escobedo F, Joo YL. Effect of shear on nanoparticle dispersion in polymer melts: A coarse-grained molecular dynamics study. The Journal of Chemical Physics. 132: 024901. PMID 20095703 DOI: 10.1063/1.3277671  1
2010 Aguilera-Mercado BM, Genesky GD, Duncan TM, Cohen C, Escobedo FA. 2H NMR and simulation studies of chain segment orientation in PDMS bimodal networks Macromolecules. 43: 7173-7184. DOI: 10.1021/Ma100744P  1
2010 Hong B, Escobedo F, Panagiotopoulos AZ. Diffusivities and viscosities of poly(ethylene oxide) oligomers Journal of Chemical and Engineering Data. 55: 4273-4280. DOI: 10.1021/Je100430Q  1
2009 Escobedo FA, Borrero EE, Araque JC. Transition path sampling and forward flux sampling. Applications to biological systems. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 21: 333101. PMID 21828593 DOI: 10.1088/0953-8984/21/33/333101  1
2009 Velez-Vega C, Borrero EE, Escobedo FA. Kinetics and reaction coordinate for the isomerization of alanine dipeptide by a forward flux sampling protocol. The Journal of Chemical Physics. 130: 225101. PMID 19530790 DOI: 10.1063/1.3147465  1
2009 Fenwick MK, Escobedo FA. Exploration of factors affecting the onset and maturation course of follicular lymphoma through simulations of the germinal center. Bulletin of Mathematical Biology. 71: 1432-62. PMID 19412639 DOI: 10.1007/S11538-009-9408-8  1
2009 Borrero EE, Escobedo FA. Simulating the kinetics and thermodynamics of transitions via forward flux/umbrella sampling. The Journal of Physical Chemistry. B. 113: 6434-45. PMID 19402728 DOI: 10.1021/Jp809103K  1
2009 Velez-Vega C, Fenwick MK, Escobedo FA. Simulated mutagenesis of the hypervariable loops of a llama VHH domain for the recovery of canonical conformations. The Journal of Physical Chemistry. B. 113: 1785-95. PMID 19132876 DOI: 10.1021/Jp805866J  1
2009 Hosein ID, John BS, Lee SH, Escobedo FA, Liddell CM. Rotator and crystalline films via self-assembly of short-bond-length colloidal dimers Journal of Materials Chemistry. 19: 344-349. DOI: 10.1039/B818613H  1
2009 Aguilera-Mercado BM, Cohen C, Escobedo FA. Extraction of segment orientation distributions in polymer networks by inversion of2H NMR spectra through the maximum-entropy method Macromolecules. 42: 8889-8898. DOI: 10.1021/Ma9017179  1
2008 Borrero EE, Escobedo FA. Optimizing the sampling and staging for simulations of rare events via forward flux sampling schemes. The Journal of Chemical Physics. 129: 024115. PMID 18624524 DOI: 10.1063/1.2953325  1
2008 Kalra V, Mendez S, Escobedo F, Joo YL. Coarse-grained molecular dynamics simulation on the placement of nanoparticles within symmetric diblock copolymers under shear flow. The Journal of Chemical Physics. 128: 164909. PMID 18447502 DOI: 10.1063/1.2911690  1
2008 John BS, Juhlin C, Escobedo FA. Phase behavior of colloidal hard perfect tetragonal parallelepipeds. The Journal of Chemical Physics. 128: 044909. PMID 18248002 DOI: 10.1063/1.2819091  1
2008 Contreras Martínez LM, Borrero Quintana EE, Escobedo FA, DeLisa MP. In silico protein fragmentation reveals the importance of critical nuclei on domain reassembly. Biophysical Journal. 94: 1575-88. PMID 17993485 DOI: 10.1529/Biophysj.107.119651  1
2008 Lee SH, Gerbode SJ, John BS, Wolfgang AK, Escobedo FA, Cohen I, Liddell CM. Synthesis and assembly of nonspherical hollow silica colloids under confinement Journal of Materials Chemistry. 18: 4912-4916. DOI: 10.1039/B812406J  1
2008 Genesky GD, Aguilera-Mercado BM, Bhawe DM, Escobedo FA, Cohen C. Experiments and simulations: Enhanced mechanical Properties of end-linked bimodal elastomers Macromolecules. 41: 8231-8241. DOI: 10.1021/Ma801065X  1
2008 Kobašlija M, Bogdan AR, Poe SL, Escobedo F, Tyler Mcquade D. Creating microenvironments using encapsulated polymers Journal of Polymer Science, Part a: Polymer Chemistry. 46: 2309-2315. DOI: 10.1002/Pola.22630  1
2007 Borrero EE, Escobedo FA. Reaction coordinates and transition pathways of rare events via forward flux sampling. The Journal of Chemical Physics. 127: 164101. PMID 17979313 DOI: 10.1063/1.2776270  1
2006 Borrero EE, Escobedo FA. Folding kinetics of a lattice protein via a forward flux sampling approach. The Journal of Chemical Physics. 125: 164904. PMID 17092136 DOI: 10.1063/1.2357944  1
2006 Escobedo FA, Abreu CR. On the use of transition matrix methods with extended ensembles. The Journal of Chemical Physics. 124: 104110. PMID 16542071 DOI: 10.1063/1.2174010  1
2006 Contreras Martínez LM, Martínez-Veracoechea FJ, Pohkarel P, Stroock AD, Escobedo FA, DeLisa MP. Protein translocation through a tunnel induces changes in folding kinetics: a lattice model study. Biotechnology and Bioengineering. 94: 105-17. PMID 16528757 DOI: 10.1002/Bit.20832  1
2006 Abreu CR, Escobedo FA. A general framework for non-Boltzmann Monte Carlo sampling. The Journal of Chemical Physics. 124: 054116. PMID 16468860 DOI: 10.1063/1.2165188  1
2006 Choudhary D, Clancy P, Shetty R, Escobedo F. A computational study of the sub-monolayer growth of pentacene Advanced Functional Materials. 16: 1768-1775. DOI: 10.1002/Adfm.200500148  1
2005 John BS, Escobedo FA. Phase behavior of colloidal hard tetragonal parallelepipeds (cuboids): a Monte Carlo simulation study. The Journal of Physical Chemistry. B. 109: 23008-15. PMID 16853998 DOI: 10.1021/Jp0551521  1
2005 Bhawe DM, Cohen C, Escobedo FA. Effect of chain stiffness and entanglements on the elastic behavior of end-linked elastomers. The Journal of Chemical Physics. 123: 014909. PMID 16035871 DOI: 10.1063/1.1949210  0.64
2005 Gospodinov ID, Escobedo FA. Multicanonical schemes for mapping out free-energy landscapes of single-component and multicomponent systems. The Journal of Chemical Physics. 122: 164103. PMID 15945668 DOI: 10.1063/1.1884594  1
2004 Bhawe DM, Cohen C, Escobedo FA. Stepwise elastic behavior in a model elastomer. Physical Review Letters. 93: 257804. PMID 15697945 DOI: 10.1103/Physrevlett.93.257804  0.64
2004 Fenwick MK, Escobedo FA. On the use of Bennett's acceptance ratio method in multi-canonical-type simulations. The Journal of Chemical Physics. 120: 3066-74. PMID 15268459 DOI: 10.1063/1.1641000  1
2004 Gospodinov ID, Escobedo FA. Bridging continuum and statistical thermodynamics via equations of state and the density of states. The Journal of Chemical Physics. 120: 10699-710. PMID 15268096 DOI: 10.1063/1.1738108  1
2004 John BS, Stroock A, Escobedo FA. Cubatic liquid-crystalline behavior in a system of hard cuboids. The Journal of Chemical Physics. 120: 9383-9. PMID 15267877 DOI: 10.1063/1.1711594  1
2003 Fenwick MK, Escobedo FA. Hybrid Monte Carlo with multidimensional replica exchanges: conformational equilibria of the hypervariable regions of a llama VHH antibody domain. Biopolymers. 68: 160-77. PMID 12548621 DOI: 10.1002/Bip.10291  1
2003 Fenwick MK, Escobedo FA. Expanded ensemble and replica exchange methods for simulation of protein-like systems Journal of Chemical Physics. 119: 11998-12010. DOI: 10.1063/1.1624822  1
2002 Shetty R, Escobedo FA, Choudhary D, Clancy P. A novel algorithm for characterization of order in materials Journal of Chemical Physics. 117: 4000-4009. DOI: 10.1063/1.1494986  1
1999 de Pablo JJ, Yan Q, Escobedo FA. Simulation of phase transitions in fluids. Annual Review of Physical Chemistry. 50: 377-411. PMID 15012417 DOI: 10.1146/annurev.physchem.50.1.377  0.76
1998 Escobedo FA, Fryer DS, De Pablo JJ. Application of scanning thermal microscopy to the study of thermophysical properties of ultrathin photoresist films Proceedings of Spie - the International Society For Optical Engineering. 3332: 735-740. DOI: 10.1117/12.308791  1
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