A semi-empirical potential for simulations of transition metal clusters: Minima and isomers of and their hydrides E Curotto, A Matro, DL Freeman, JD Doll The Journal of chemical physics 108 (2), 729-742, 1998 | 84 | 1998 |
Asymptotic convergence rates of Fourier path integral methods M Eleftheriou, JD Doll, E Curotto, DL Freeman The Journal of chemical physics 110 (14), 6657-6672, 1999 | 49 | 1999 |
Structure and Energetics of Ammonia Clusters (NH3)n (n = 3−20) Investigated Using a Rigid−Polarizable Model Derived from ab Initio Calculations PE Janeiro-Barral, M Mella, E Curotto The Journal of Physical Chemistry A 112 (13), 2888-2898, 2008 | 41 | 2008 |
The thermodynamic and ground state properties of the TIP4P water octamer E Asare, AR Musah, E Curotto, DL Freeman, JD Doll The Journal of chemical physics 131 (18), 2009 | 32 | 2009 |
Quantum Monte Carlo simulations of selected ammonia clusters (n= 2–5): Isotope effects on the ground state of typical hydrogen bonded systems E Curotto, M Mella The Journal of chemical physics 133 (21), 2010 | 28 | 2010 |
A j-walking algorithm for microcanonical simulations: Applications to Lennard-Jones clusters E Curotto, DL Freeman, JD Doll The Journal of chemical physics 109 (5), 1643-1647, 1998 | 28 | 1998 |
Rigid quantum Monte Carlo simulations of condensed molecular matter: Water clusters in the n= 2→ 8 range SF Langley, E Curotto, DL Freeman, JD Doll The Journal of chemical physics 126 (8), 2007 | 27 | 2007 |
Stereographic projections path integral in and manifolds MF Russo Jr, E Curotto The Journal of chemical physics 118 (15), 6806-6815, 2003 | 23 | 2003 |
Stereographic projections path integral for inertia ellipsoids: Applications to clusters MF Russo Jr, E Curotto The Journal of chemical physics 120 (5), 2110-2121, 2004 | 20 | 2004 |
Thermodynamic properties of ammonia clusters (NH3) n n= 2–11: Comparing classical and quantum simulation results for hydrogen bonded species C Lubombo, E Curotto, PE Janeiro Barral, M Mella The Journal of Chemical Physics 131 (3), 2009 | 19 | 2009 |
Stereographic projection path integral simulations of (HCl) n clusters (n= 2–5): Evidence of quantum induced melting in small hydrogen bonded networks MW Avilés, ML McCandless, E Curotto The Journal of chemical physics 128 (12), 2008 | 19 | 2008 |
Partial averaging and the centroid virial estimator for stereographic projection path-integral simulations in curved spaces MW Avilés, E Curotto The Journal of chemical physics 122 (16), 2005 | 19 | 2005 |
The melting of –HF: A canonical parallel tempering simulation MR Ghayal, E Curotto The Journal of Chemical Physics 113 (10), 4298-4304, 2000 | 19 | 2000 |
A reweighted random series method for stereographic projection path integrals E Curotto The Journal of chemical physics 123 (13), 2005 | 18 | 2005 |
Core to surface exchange and the melting of –HF A j-walking-molecular-dynamics simulation MR Ghayal, E Curotto The Journal of chemical physics 111 (12), 5522-5528, 1999 | 18 | 1999 |
A stereographic projection path integral study of the coupling between the orientation and the bending degrees of freedom of water E Curotto, DL Freeman, JD Doll The Journal of chemical physics 128 (20), 2008 | 17 | 2008 |
Stochastic Simulations of Clusters: Quantum Methods in Flat and Curved Spaces E Curotto CRC Press, 2009 | 16 | 2009 |
Quantum simulations of the hydrogen molecule on ammonia clusters M Mella, E Curotto The Journal of Chemical Physics 139 (12), 2013 | 15 | 2013 |
Importance sampling for quantum Monte Carlo in manifolds: Addressing the time scale problem in simulations of molecular aggregates T Luan, E Curotto, M Mella The Journal of chemical physics 128 (16), 2008 | 14 | 2008 |
Stereographic projection path-integral simulations of (HF) n clusters MW Avilés, PT Gray, E Curotto The Journal of chemical physics 124 (17), 2006 | 14 | 2006 |