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Estela Blaisten-Barojas, Ph.D. - Publications

Affiliations: 
1971-1976 Centre de Mécanique Ondulatoire Appliqué CNRS & Sorbonne Université 
 1976-1990 Department of Physics National University of Mexico, Ciudad de México, Ciudad de México, Mexico 
 1990-1992 Departments of Chemistry and Physics Johns Hopkins University, Baltimore, MD 
 1992- Dep. Computational and Data Sciences George Mason University, Washington, DC 
Area:
Computational Physics, Molecular Physics, Condensed Matter
Website:
https://science.gmu.edu/directory/estela-blaisten-barojas
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77 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
2022 Andrews J, Gkountouna O, Blaisten-Barojas E. Forecasting molecular dynamics energetics of polymers in solution from supervised machine learning. Chemical Science. 13: 7021-7033. PMID 35774160 DOI: 10.1039/d2sc01216b  0.459
2021 Andrews J, Blaisten-Barojas E. Distinctive Formation of PEG-Lipid Nanopatches onto Solid Polymer Surfaces Interfacing Solvents from Atomistic Simulation. The Journal of Physical Chemistry. B. PMID 34933557 DOI: 10.1021/acs.jpcb.1c07490  0.429
2021 Sponseller D, Blaisten-Barojas E. Solutions and Condensed Phases of PEG from All-Atom Molecular Dynamics. The Journal of Physical Chemistry. B. 125: 12892-12901. PMID 34783248 DOI: 10.1021/acs.jpcb.1c06397  0.783
2020 Hopkins SD, Gogovi GK, Weisel E, Handler RA, Blaisten-Barojas E. Polyacrylamide in glycerol solutions from an atomistic perspective of the energetics, structure, and dynamics Aip Advances. 10: 85011. DOI: 10.1063/5.0020850  0.778
2020 Andrews J, Handler RA, Blaisten-Barojas E. Structure, energetics and thermodynamics of PLGA condensed phases from Molecular Dynamics Polymer. 206: 122903. DOI: 10.1016/J.Polymer.2020.122903  0.463
2019 Andrews J, Blaisten-Barojas E. Exploring with Molecular Dynamics the Structural Fate of PLGA Oligomers in Various Solvents. The Journal of Physical Chemistry. B. PMID 31702156 DOI: 10.1021/Acs.Jpcb.9B06681  0.592
2019 Gogovi GK, Almsned F, Bracci N, Kehn-Hall K, Shehu A, Blaisten-Barojas E. Modeling the Tertiary Structure of the Rift Valley Fever Virus L Protein. Molecules (Basel, Switzerland). 24. PMID 31067727 DOI: 10.3390/Molecules24091768  0.742
2019 Reitz DM, Blaisten-Barojas E. Simulating the NaK Eutectic Alloy with Monte Carlo and Machine Learning. Scientific Reports. 9: 704. PMID 30679496 DOI: 10.1038/S41598-018-36574-Y  0.704
2018 Özkaya S, Blaisten-Barojas E. Polypyrrole on graphene: A density functional theory study Surface Science. 674: 1-5. DOI: 10.1016/J.Susc.2018.03.013  0.359
2017 Reitz D, Blaisten-Barojas E. Monte Carlo Study of the Crystalline and Amorphous NaK Alloy Procedia Computer Science. 108: 1215-1221. DOI: 10.1016/j.procs.2017.05.232  0.621
2014 Sponseller D, Blaisten-Barojas E. Failure of logarithmic oscillators to serve as a thermostat for small atomic clusters. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 89: 021301. PMID 25353415 DOI: 10.1103/Physreve.89.021301  0.791
2014 Hall C, Ji W, Blaisten-Barojas E. The Metropolis Monte Carlo method with CUDA enabled Graphic Processing Units Journal of Computational Physics. 258: 871-879. DOI: 10.1016/J.Jcp.2013.11.012  0.368
2013 Dai Y, Wei C, Blaisten-Barojas E. Density functional theory study of neutral and oxidized thiophene oligomers. The Journal of Chemical Physics. 139: 184905. PMID 24320302 DOI: 10.1063/1.4829538  0.691
2012 Dai Y, Wei C, Blaisten-Barojas E. Bipolarons and polaron pairs in oligopyrrole dications Computational and Theoretical Chemistry. 993: 7-12. DOI: 10.1016/J.Comptc.2012.05.018  0.672
2011 Massaro RD, Blaisten-Barojas E. Theoretical investigation of the photophysics of methyl salicylate isomers. The Journal of Chemical Physics. 135: 164306. PMID 22047238 DOI: 10.1063/1.3653969  0.767
2011 Lyver JW, Blaisten-Barojas E. Lattice Thermal Conductivity in SiC Nanotubes, Nanowires and Nanofilaments: A Molecular Dynamics Study Journal of Computational and Theoretical Nanoscience. 8: 529-534. DOI: 10.1166/Jctn.2011.1718  0.735
2011 Massaro RD, Blaisten-Barojas E. Density functional theory study of dipicolinic acid isomers and crystalline polytypes Computational and Theoretical Chemistry. 977: 148-156. DOI: 10.1016/J.Comptc.2011.09.030  0.786
2011 Dai Y, Chowdhury S, Blaisten-Barojas E. Density functional theory study of the structure and energetics of negatively charged oligopyrroles International Journal of Quantum Chemistry. 111: 2295-2305. DOI: 10.1002/Qua.22659  0.717
2010 Lach-Hab M, Yang S, Vaisman II, Blaisten-Barojas E. Novel Approach for Clustering Zeolite Crystal Structures. Molecular Informatics. 29: 297-301. PMID 27463057 DOI: 10.1002/Minf.200900072  0.787
2010 Dai Y, Blaisten-Barojas E. Monte Carlo study of oligopyrroles in condensed phases. The Journal of Chemical Physics. 133: 034905. PMID 20649357 DOI: 10.1063/1.3457675  0.703
2010 Yang S, Lach-hab M, Vaisman II, Blaisten-Barojas E, Li X, Karen VL. Framework-Type Determination for Zeolite Structures in the Inorganic Crystal Structure Database Journal of Physical and Chemical Reference Data. 39: 033102. DOI: 10.1063/1.3432459  0.764
2010 Yang S, Lach-hab M, Blaisten-Barojas E, Li X, Karen VL. Machine learning study of the heulandite family of zeolites Microporous and Mesoporous Materials. 130: 309-313. DOI: 10.1016/J.Micromeso.2009.11.027  0.759
2009 Massaro RD, Dai Y, Blaisten-Barojas E. Energetics and vibrational analysis of methyl salicylate isomers. The Journal of Physical Chemistry. A. 113: 10385-90. PMID 19708681 DOI: 10.1021/Jp905887M  0.76
2009 Patrick AD, Dong X, Allison TC, Blaisten-Barojas E. Silicon carbide nanostructures: a tight binding approach. The Journal of Chemical Physics. 130: 244704. PMID 19566171 DOI: 10.1063/1.3157282  0.743
2009 Lyver IV JW, Blaisten-Barojas E. Effects of the interface between two Lennard-Jones crystals on the lattice vibrations: a molecular dynamics study Journal of Physics: Condensed Matter. 21: 345402. DOI: 10.1088/0953-8984/21/34/345402  0.437
2009 Yang S, Lach-hab M, Vaisman II, Blaisten-Barojas E. Identifying Zeolite Frameworks with a Machine Learning Approach The Journal of Physical Chemistry C. 113: 21721-21725. DOI: 10.1021/Jp907017U  0.766
2009 Carr DA, Lach-hab M, Yang S, Vaisman II, Blaisten-Barojas E. Machine learning approach for structure-based zeolite classification Microporous and Mesoporous Materials. 117: 339-349. DOI: 10.1016/J.Micromeso.2008.07.027  0.766
2008 Dai Y, Blaisten-Barojas E. Energetics, structure, and charge distribution of reduced and oxidized n-pyrrole oligomers: a density functional approach. The Journal of Chemical Physics. 129: 164903. PMID 19045310 DOI: 10.1063/1.2996297  0.699
2008 Dai Y, Blaisten-Barojas E. Energetics, structure, and electron detachment spectra of calcium and zinc neutral and anion clusters: a density functional theory study. The Journal of Physical Chemistry. A. 112: 11052-60. PMID 18855368 DOI: 10.1021/Jp8034067  0.738
2007 Gatica SM, Dong X, Blaisten-Barojas E. Study of solid-liquid phase changes of Lennard-Jones nanoclusters by NPT Monte Carlo simulations Journal of Computational and Theoretical Nanoscience. 4: 529-534. DOI: 10.1166/Jctn.2007.2338  0.577
2007 Dong X, Klimov D, Blaisten-Barojas E. Protein folding with the adaptive tempering Monte Carlo method Molecular Simulation. 33: 577-582. DOI: 10.1080/08927020600930532  0.524
2007 Patrick AD, Williams P, Blaisten-Barojas E. Energetics and bonding in beryllium metallized carbon clusters Journal of Molecular Structure: Theochem. 824: 39-47. DOI: 10.1016/J.Theochem.2007.08.030  0.716
2007 Patrick AD, Skene A, Blaisten-Barojas E. Energetics and bonding in small lithiated carbon clusters Journal of Molecular Structure: Theochem. 807: 163-172. DOI: 10.1016/J.Theochem.2006.12.033  0.719
2006 Lyver JW, Blaisten-Barojas E. Computational study of heat transport in compositionally disordered binary crystals Acta Materialia. 54: 4633-4639. DOI: 10.1016/J.Actamat.2006.05.050  0.75
2005 Dong X, Gatica SM, Blaisten-Barojas E. Tight-binding Calcium Clusters from Adaptive Tempering Monte Carlo Simulation Computing Letters. 1: 152-157. DOI: 10.1163/157404005776611529  0.616
2004 Dong X, Wang GM, Blaisten-Barojas E. Tight-binding model for calcium nanoclusters: Structural, electronic, and dynamical properties Physical Review B. 70. DOI: 10.1103/Physrevb.70.205409  0.642
2004 Blaisten-Barojas E, Chien C, Pederson MR, Mirick JW. Fission of doubly ionized calcium clusters Chemical Physics Letters. 395: 109-113. DOI: 10.1016/J.Cplett.2004.07.004  0.602
2003 Wang GM, Papaconstantopoulos DA, Blaisten-Barojas E. Pressure induced transitions in calcium: A tight-binding approach Journal of Physics and Chemistry of Solids. 64: 185-192. DOI: 10.1016/S0022-3697(02)00199-3  0.432
2001 Mirick JW, Chien C, Blaisten-Barojas E. Electronic structure of calcium clusters Physical Review A. 63. DOI: 10.1103/Physreva.63.023202  0.766
2001 Wang GM, Blaisten-Barojas E, Roitberg AE, Martin TP. Strontium clusters: Many-body potential, energetics, and structural transitions Journal of Chemical Physics. 115: 3640-3646. DOI: 10.1063/1.1384454  0.434
2000 AlSunaidi A, Lach-Hab M, Blaisten-Barojas E, González AE. Colloidal aggregation with mobile impurities. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 61: 6781-8. PMID 11088373 DOI: 10.1103/Physreve.61.6781  0.775
2000 Alsunaidi A, Lach-Hab M, González AE, Blaisten-Barojas E. Cluster-cluster aggregation in binary mixtures Physical Review E. 61: 550-556. PMID 11046296 DOI: 10.1103/Physreve.61.550  0.788
2000 Chien C, Blaisten-Barojas E, Pederson MR. Many-body potential and structure for rhodium clusters The Journal of Chemical Physics. 112: 2301-2307. DOI: 10.1063/1.480794  0.672
1999 González AE, Lach-Hab M, Blaisten-Barojas E. On the Concentration Dependence of the Cluster Fractal Dimension in Colloidal Aggregation Journal of Sol-Gel Science and Technology. 15: 119-127. DOI: 10.1023/A:1008783320920  0.776
1998 Lach-hab M, González AE, Blaisten-Barojas E. Structure function and fractal dimension of diffusion-limited colloidal aggregates Physical Review E. 57: 4520-4527. DOI: 10.1103/Physreve.57.4520  0.763
1998 Li Y, Blaisten-Barojas E, Papaconstantopoulos DA. Structure and dynamics of alkali-metal clusters and fission of highly charged clusters Physical Review B. 57: 15519-15532. DOI: 10.1103/PhysRevB.57.15519  0.368
1998 Li Y, Blaisten-Barojas E, Papaconstantopoulos DA. Structure and dynamics of alkali-metal clusters and fission of highly charged clusters Physical Review B - Condensed Matter and Materials Physics. 57: 15519-15532. DOI: 10.1103/Physrevb.57.15519  0.5
1998 Chien C, Blaisten-Barojas E, Pederson MR. Magnetic and electronic properties of rhodium clusters Physical Review A. 58: 2196-2202. DOI: 10.1103/Physreva.58.2196  0.661
1997 Li Y, Blaisten-Barojas E. Nonlinear coupling between rotation and internal vibration in simple molecular systems Journal of Physics B: Atomic, Molecular and Optical Physics. 30: 309-318. DOI: 10.1088/0953-4075/30/2/022  0.398
1997 Li Y, Blaisten-Barojas E, Papaconstantopoulos DA. Molecular dynamics study of neutral and multiply charged sodium clusters Chemical Physics Letters. 268: 331-336. DOI: 10.1016/S0009-2614(97)00208-X  0.482
1997 Lach-hab M, Blaisten-Barojas E, Sauer T. Irregular scattering of particles confined to ring-bounded cavities Journal of Statistical Physics. 87: 137-146. DOI: 10.1007/Bf02181483  0.744
1996 Lach-hab M, González AE, Blaisten-Barojas E. Concentration dependence of structural and dynamical quantities in colloidal aggregation: Computer simulations Physical Review E. 54: 5456-5462. PMID 9965731 DOI: 10.1103/Physreve.54.5456  0.774
1996 and MRZ, Carrier MJ, Blaisten-Barojas E. Properties of Silicon Nanoparticles: A Molecular Dynamics Study The Journal of Physical Chemistry. 100: 14856-14864. DOI: 10.1021/Jp953773W  0.511
1994 Blaisten-Barojas E, Li Y, Belenki A. Fragmentation of Highly Charged Metallic Clusters Mrs Proceedings. 366. DOI: 10.1557/Proc-366-341  0.47
1994 Blaisten-Barojas E, Liu L, Zachariah M. Dynamics of Nanometer SiO2 Particles and their Coalescence Characteristics Mrs Proceedings. 366. DOI: 10.1557/Proc-366-173  0.489
1993 Zachariah MR, Carrier MJ, Blaisten-Barojas E. Molecular Dynamics Simulation of Large Cluster Growth Mrs Proceedings. 334. DOI: 10.1557/Proc-334-75  0.492
1992 Blaisten-Barojas E, Zachariah MR. Molecular-dynamics study of cluster growth by cluster-cluster collisions. Physical Review. B, Condensed Matter. 45: 4403-4408. PMID 10002057 DOI: 10.1103/Physrevb.45.4403  0.45
1992 Blaisten-Barojas E. Molecular Dynamics Study Of Cluster Growth And Polymer Degradation International Journal of Modern Physics B. 6: 3643-3655. DOI: 10.1142/S0217979292001705  0.475
1990 Blaisten-Barojas E. Correlated walk model of the melting transition in small clusters Journal of the Chemical Society, Faraday Transactions. 86: 2351-2356. DOI: 10.1039/Ft9908602351  0.494
1990 Blaisten-Barojas E, Nyden MR. Molecular dynamics study of the depolymerization reaction in simple polymers Chemical Physics Letters. 171: 499-505. DOI: 10.1016/0009-2614(90)85253-9  0.376
1989 Garzón IL, Borja MA, Blaisten-Barojas E. Phenomenological model of melting in Lennard-Jones clusters. Physical Review B. 40: 4749-4759. PMID 9992470 DOI: 10.1103/Physrevb.40.4749  0.392
1989 Garzón IL, Avalos-Borja M, Blaisten-Barojas E. More on the melting of Lennard-Jones clusters European Physical Journal D. 12: 181-183. DOI: 10.1007/978-3-642-74913-1_41  0.477
1989 Blaisten-Barojas E, Khanna SN. Model potential for beryllium clusters European Physical Journal D. 12: 77-79. DOI: 10.1007/978-3-642-74913-1_17  0.488
1988 Blaisten-Barojas E, Garzón IL, Avalos-Borja M. Erratum: Melting and freezing of Lennard-Jones clusters on a surface Physical Review B. 38: 2868-2868. PMID 9946610 DOI: 10.1103/Physrevb.38.2868  0.427
1988 Blaisten-Barojas E, Khanna SN. Development of a first-principles many-body potential for beryllium Physical Review Letters. 61: 1477-1480. DOI: 10.1103/Physrevlett.61.1477  0.392
1988 Rao BK, Blaisten-Barojas E. New potentials for Si2 Chemical Physics Letters. 150: 259-262. DOI: 10.1016/0009-2614(88)80038-1  0.385
1987 Blaisten-Barojas E, Garzón IL, Avalos-Borja M. Melting and freezing of Lennard-Jones clusters on a surface. Physical Review B. 36: 8447-8455. PMID 9942662 DOI: 10.1103/Physrevb.36.8447  0.427
1986 Blaisten-Barojas E, Levesque D. Molecular-dynamics simulation of silicon clusters. Physical Review B. 34: 3910-3916. PMID 9940155 DOI: 10.1103/Physrevb.34.3910  0.44
1986 Garzón IL, Blaisten-Barojas E. Effect of three-body interactions on the early stages of atomic cluster growth Chemical Physics Letters. 124: 84-89. DOI: 10.1016/0009-2614(86)85018-7  0.481
1985 Blaisten-Barojas E, Andersen HC. Effects of three-body interactions on the structure of clusters Surface Science. 156: 548-555. DOI: 10.1016/0039-6028(85)90617-X  0.416
1984 Bravo G, Blaisten-Barojas E. Electronic structure and vibrational analysis of the alkali peroxides K2O2 and Rb2O2 Chemical Physics Letters. 108: 237-240. DOI: 10.1016/0009-2614(84)87056-6  0.393
1978 Barojas J, Blaisten-Barojas E, Flores J. Two examples of electronic spectrum fluctuations in microparticles Physics Letters A. 69: 142-144. DOI: 10.1016/0375-9601(78)90383-3  0.386
1977 Barojas J, Cota E, Blaisten-Barojas E, Flores J, Mello PA. On The Statistical Properties Of The Electronic Levels Of Small Metallic Particles Le Journal De Physique Colloques. 38. DOI: 10.1051/Jphyscol:1977226  0.376
1977 Blaisten-Barojas E, Flores J, Mello PA, Barojas J, Cota E. Dependence of the specific heat on the spectrum fluctuations Physics Letters A. 61: 146-148. DOI: 10.1016/0375-9601(77)90273-0  0.39
1977 Barojas J, Cota E, Blaisten-Barojas E, Flores J, Mello PA. Studies on the problem of small metallic particles. I. — Spectrum fluctuations in a two-dimensional model and the associated specific heat Annals of Physics. 107: 95-109. DOI: 10.1016/0003-4916(77)90204-4  0.368
1976 Blaisten-Barojas E, Allavena M. IR absorption spectrum of molecules trapped in matrices. I. the libron-phonon coupling in 1D Journal of Physics C: Solid State Physics. 9: 3121-3139. DOI: 10.1088/0022-3719/9/16/018  0.661
1976 Blaisten-Barojas E, Novaro O, Sinanoˇglu O. Solvent effects of liquid helium on He2 Molecular Physics. 31: 1941-1944. DOI: 10.1080/00268977600101541  0.34
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