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Emanuele Curotto, Ph.D. - Publications

Affiliations: 
Chemistry Arcadia University, Glenside, PA, United States 
Area:
theoretical chemistry
Website:
http://www.arcadia.edu/faculty/emanuele-curotto/
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38 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 Stringer A, Curotto E. An ergodic measure for Diffusion Monte Carlo ground state wavefunctions: Application to a hydrogen cluster with an isotopic impurity Chemical Physics Letters. 734: 136728. DOI: 10.1016/J.Cplett.2019.136728  0.448
2019 DiEmma G, Kalette S, Curotto E. Classical and quantum simulations of a lithium ion solvated by a mixed Stockmayer cluster Chemical Physics Letters. 725: 80-86. DOI: 10.1016/J.Cplett.2019.04.007  0.383
2019 Hyers MJ, Fodor AM, Bierwisch DK, Curotto E. Re‐weighted random series path integral simulations of molecular clusters: Applications to lithium solvated by a mixed Stockmayer cluster International Journal of Quantum Chemistry. 119: e25915. DOI: 10.1002/Qua.25915  0.457
2018 Curotto E, Mella M. Diffusion Monte Carlo simulations of gas phase and adsorbed D-(H)clusters. The Journal of Chemical Physics. 148: 102315. PMID 29544319 DOI: 10.1063/1.5000372  0.447
2017 Mella M, Curotto E. An Assessment of the Effects of Anisotropic Interactions Among Hydrogen Molecules and Their Isotopologues: A Diffusion Monte Carlo Investigation of Gas Phase and Adsorbed Clusters. The Journal of Physical Chemistry. A. PMID 28616991 DOI: 10.1021/Acs.Jpca.7B03768  0.417
2016 Mella M, Curotto E. Quest for Inexpensive Hydrogen Isotopic Fractionation: Do We Need 2D Quantum Confining in Porous Materials or Are Rough Surfaces Enough? The Case of Ammonia Nanoclusters. The Journal of Physical Chemistry. A. PMID 27704841 DOI: 10.1021/Acs.Jpca.6B08005  0.41
2016 Christensen HM, Jake LC, Curotto E. Smart darting diffusion Monte Carlo: Applications to lithium ion-Stockmayer clusters. The Journal of Chemical Physics. 144: 174115. PMID 27155633 DOI: 10.1063/1.4948562  0.44
2015 Curotto E. Ion-Stockmayer clusters: Minima, classical thermodynamics, and variational ground state estimates of Li(+)(CH3NO2)n (n = 1-20). The Journal of Chemical Physics. 143: 214301. PMID 26646876 DOI: 10.1063/1.4936587  0.442
2015 Curotto E, Mella M. On the convergence of diffusion Monte Carlo in non-Euclidean spaces. II. Diffusion with sources and sinks. The Journal of Chemical Physics. 142: 114111. PMID 25796235 DOI: 10.1063/1.4914516  0.369
2015 Curotto E, Mella M. On the convergence of diffusion Monte Carlo in non-Euclidean spaces. I. Free diffusion. The Journal of Chemical Physics. 142: 114110. PMID 25796234 DOI: 10.1063/1.4914515  0.339
2015 Venditto JG, Wolf S, Curotto E, Mella M. Replica exchange Hybrid Monte Carlo simulations of the ammonia dodecamer and hexadecamer Chemical Physics Letters. 635: 127-133. DOI: 10.1016/J.Cplett.2015.06.044  0.469
2014 Wolf S, Curotto E. Ring polymer dynamics for rigid tops with an improved integrator. The Journal of Chemical Physics. 141: 024116. PMID 25028008 DOI: 10.1063/1.4887460  0.323
2014 Curotto E, Mella M. Infinite swapping in curved spaces. The Journal of Chemical Physics. 140: 014103. PMID 24410217 DOI: 10.1063/1.4855675  0.404
2014 Wolf S, Curotto E, Mella M. Quantum monte carlo methods for constrained systems International Journal of Quantum Chemistry. 114: 611-625. DOI: 10.1002/Qua.24647  0.395
2013 Mella M, Curotto E. Quantum simulations of the hydrogen molecule on ammonia clusters. The Journal of Chemical Physics. 139: 124319. PMID 24089779 DOI: 10.1063/1.4821648  0.451
2013 Jenkins R, Curotto E, Mella M. Replica exchange with Smart Monte Carlo and Hybrid Monte Carlo in manifolds Chemical Physics Letters. 590: 214-220. DOI: 10.1016/J.Cplett.2013.10.053  0.413
2012 Wolf S, Curotto E. Ring polymer dynamics in curved spaces. The Journal of Chemical Physics. 137: 014109. PMID 22779639 DOI: 10.1063/1.4732055  0.337
2012 Roberts K, Sebsebie R, Curotto E. A rare event sampling method for diffusion Monte Carlo using smart darting. The Journal of Chemical Physics. 136: 074104. PMID 22360233 DOI: 10.1063/1.3685453  0.307
2012 Sheppleman JP, Smizaski GW, Curotto E, Mella M. An analytical potential energy model for ammonia-H 2 from first principle Chemical Physics Letters. 535: 49-55. DOI: 10.1016/J.Cplett.2012.03.088  0.378
2010 Curotto E, Mella M. Quantum Monte Carlo simulations of selected ammonia clusters (n = 2-5): isotope effects on the ground state of typical hydrogen bonded systems. The Journal of Chemical Physics. 133: 214301. PMID 21142298 DOI: 10.1063/1.3506027  0.532
2009 Asare E, Musah AR, Curotto E, Freeman DL, Doll JD. The thermodynamic and ground state properties of the TIP4P water octamer. The Journal of Chemical Physics. 131: 184508. PMID 19916613 DOI: 10.1063/1.3259047  0.557
2009 Lubombo C, Curotto E, Janeiro Barral PE, Mella M. Thermodynamic properties of ammonia clusters (NH3)n n = 2-11: comparing classical and quantum simulation results for hydrogen bonded species. The Journal of Chemical Physics. 131: 034312. PMID 19624202 DOI: 10.1063/1.3159398  0.47
2008 Curotto E, Freeman DL, Doll JD. A stereographic projection path integral study of the coupling between the orientation and the bending degrees of freedom of water. The Journal of Chemical Physics. 128: 204107. PMID 18513010 DOI: 10.1063/1.2925681  0.555
2008 Luan T, Curotto E, Mella M. Importance sampling for quantum Monte Carlo in manifolds: addressing the time scale problem in simulations of molecular aggregates. The Journal of Chemical Physics. 128: 164102. PMID 18447416 DOI: 10.1063/1.2898539  0.376
2008 Avilés MW, McCandless ML, Curotto E. Stereographic projection path integral simulations of (HCl)n clusters (n=2-5): evidence of quantum induced melting in small hydrogen bonded networks. The Journal of Chemical Physics. 128: 124517. PMID 18376953 DOI: 10.1063/1.2837802  0.374
2008 Janeiro-Barral PE, Mella M, Curotto E. Structure and energetics of ammonia clusters (NH3)n (n = 3-20) investigated using a rigid-polarizable model derived from ab initio calculations. The Journal of Physical Chemistry. A. 112: 2888-98. PMID 18303873 DOI: 10.1021/Jp7106796  0.432
2007 Langley SF, Curotto E, Freeman DL, Doll JD. Rigid quantum Monte Carlo simulations of condensed molecular matter: water clusters in the n=2-->8 range. The Journal of Chemical Physics. 126: 084506. PMID 17343457 DOI: 10.1063/1.2484229  0.617
2006 Avilés MW, Gray PT, Curotto E. Stereographic projection path-integral simulations of (HF)n clusters. The Journal of Chemical Physics. 124: 174305. PMID 16689569 DOI: 10.1063/1.2192773  0.406
2005 Pav DM, Curotto E. Parallel tempering simulations of the 13-center Lennard-Jones dipole-dipole cluster (muD=0-->0.5 a.u.). The Journal of Chemical Physics. 123: 144301. PMID 16238385 DOI: 10.1063/1.2049279  0.364
2005 Curotto E. A reweighted random series method for stereographic projection path integrals. The Journal of Chemical Physics. 123: 134102. PMID 16223270 DOI: 10.1063/1.2036970  0.354
2004 Oppenheimer CA, Curotto E. Parameter space minimization methods: applications to Lennard-Jones-dipole-dipole clusters. The Journal of Chemical Physics. 121: 6226-39. PMID 15446915 DOI: 10.1063/1.1786916  0.328
2003 Russo MF, Curotto E. Canonical parallel tempering simulations of Arn-HCl clusters ( n=1-12) Chemical Physics Letters. 379: 386-392. DOI: 10.1016/J.Cplett.2003.08.070  0.428
2002 Skone JH, Curotto E. Canonical parallel tempering simulations of Arn-HF clusters (n = 1 → 12): Thermodynamic properties and the redshift as a function of temperature Journal of Chemical Physics. 117: 7137-7146. DOI: 10.1063/1.1503305  0.335
2000 Aguado AM, Curotto E. On the finite temperature red shift in Ar12 -HF: Can isomerizations in clusters be observed by spectroscopy? Chemical Physics Letters. 330: 440-446. DOI: 10.1016/S0009-2614(00)01111-8  0.378
1999 Eleftheriou M, Doll JD, Curotto E, Freeman DL. Asymptotic convergence rates of Fourier path integral methods Journal of Chemical Physics. 110: 6657-6672. DOI: 10.1063/1.478573  0.537
1998 Curotto E, Freeman DL, Doll JD. A j-walking algorithm for microcanonical simulations: Applications to Lennard-Jones clusters Journal of Chemical Physics. 109: 1643-1647. DOI: 10.1063/1.476738  0.631
1998 Curotto E, Matro A, Freeman DL, Doll JD. A semi-empirical potential for simulations of transition metal clusters: Minima and isomers of Nin (n=2-13) and their hydrides Journal of Chemical Physics. 108: 729-742. DOI: 10.1063/1.475433  0.606
1998 Curotto E, Freeman DL, Chen B, Doll JD. The melting transition of Ni 7 and Ni 7 H as modeled by a semi-empirical potential Chemical Physics Letters. 295: 366-372. DOI: 10.1016/S0009-2614(98)00991-9  0.542
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