E. Curotto

发表

On the convergence of diffusion Monte Carlo in non-Euclidean spaces. I. Free diffusion.

E. Curotto, M. Mella, 2015, The Journal of chemical physics.

Ion-Stockmayer clusters: Minima, classical thermodynamics, and variational ground state estimates of Li(+)(CH3NO2)n (n = 1-20).

E. Curotto, 2015, The Journal of chemical physics.

Two Krylov space algorithms for repeated large scale sparse matrix diagonalization

E. Curotto, J. Skone, 2002 .

Re‐weighted random series path integral simulations of molecular clusters: Applications to lithium solvated by a mixed Stockmayer cluster

E. Curotto, A. Fodor, Matthew J. Hyers, 2019, International Journal of Quantum Chemistry.

A semi-empirical potential for simulations of transition metal clusters: Minima and isomers of Nin (n=2–13) and their hydrides

J. D. Doll, J. Doll, E. Curotto, 1998 .

Structure and energetics of ammonia clusters (NH3)n (n = 3-20) investigated using a rigid-polarizable model derived from ab initio calculations.

E. Curotto, M. Mella, Paula E Janeiro-Barral, 2008, The journal of physical chemistry. A.

Replica exchange Hybrid Monte Carlo simulations of the ammonia dodecamer and hexadecamer

E. Curotto, M. Mella, J. G. Venditto, 2015 .

Diffusion Monte Carlo simulations of gas phase and adsorbed D2-(H2)n clusters.

E. Curotto, M. Mella, 2018, The Journal of chemical physics.

AN ADIABATIC EXPONENTIAL PERTURBATION THEORY FOR ROTATIONALLY INELASTIC SCATTERING

E. Curotto, R. J. Cross, 1997 .

The perturbation representation for molecular inelastic scattering

E. Curotto, R. J. Cross, 1997 .

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, 2010, The Journal of chemical physics.

Thermodynamic properties of ammonia clusters (NH3)n n = 2-11: comparing classical and quantum simulation results for hydrogen bonded species.

E. Curotto, M. Mella, C. Lubombo, 2009, The Journal of chemical physics.

Stereographic projection path integral simulations of (HCl)n clusters (n=2-5): evidence of quantum induced melting in small hydrogen bonded networks.

E. Curotto, Michael W Avilés, Michelle L McCandless, 2008, The Journal of chemical physics.

Stereographic projection path-integral simulations of (HF)n clusters.

E. Curotto, Michael W Avilés, Philip T Gray, 2006, The Journal of chemical physics.

Quantum simulations of the hydrogen molecule on ammonia clusters.

E. Curotto, M. Mella, 2013, The Journal of chemical physics.

Stochastic Simulations of Clusters: Quantum Methods in Flat and Curved Spaces

E. Curotto, E. Curotto, 2009 .

A rare event sampling method for diffusion Monte Carlo using smart darting.

K Roberts, R Sebsebie, E Curotto, 2012, The Journal of chemical physics.

Importance sampling for quantum Monte Carlo in manifolds: addressing the time scale problem in simulations of molecular aggregates.

E. Curotto, M. Mella, T. Luan, 2008, The Journal of chemical physics.

Ring polymer dynamics for rigid tops with an improved integrator.

E. Curotto, S. Wolf, 2014, The Journal of chemical physics.

Quantum Monte Carlo Methods for Constrained Systems

E. Curotto, M. Mella, S. Wolf, 2014 .

Ring polymer dynamics in curved spaces.

E. Curotto, S. Wolf, 2012, The Journal of chemical physics.

The thermodynamic and ground state properties of the TIP4P water octamer.

J. D. Doll, J. Doll, E. Curotto, 2009, The Journal of chemical physics.

Infinite swapping in curved spaces.

E. Curotto, M. Mella, 2014, The Journal of chemical physics.

An analytical potential energy model for ammonia-H2 from first principle

E. Curotto, M. Mella, John P. Sheppleman, 2012 .

Assessment of the Effects of Anisotropic Interactions among Hydrogen Molecules and Their Isotopologues: A Diffusion Monte Carlo Investigation of Gas Phase and Adsorbed Clusters.

E. Curotto, M. Mella, 2017, The journal of physical chemistry. A.

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.

E. Curotto, M. Mella, 2016, The journal of physical chemistry. A.

On Diffusion Monte Carlo in spaces with multi-valued maps, boundaries and gradient torsion

E. Curotto, L. C. Jake, 2021 .

Stereographic projections path integral for inertia ellipsoids: applications to Arn-HF clusters.

E. Curotto, M. F. Russo, 2004, The Journal of chemical physics.

A structurally driven spectral transform Lanczos method for mixed quantum—classical canonical simulations (MQCC): the thermodynamics of Kr10–H and the energies of Krn–H, (n:1→9)

E. Curotto, J. Skone, 2003 .

Stereographic projections path integral in S1 and (S2)m manifolds

E. Curotto, M. F. Russo, 2003 .

Asymptotic Convergence Rates of Fourier Path Integral Methods

J. Doll, M. Eleftheriou, E. Curotto, 1999 .

Replica exchange with Smart Monte Carlo and Hybrid Monte Carlo in manifolds

E. Curotto, M. Mella, R. Jenkins, 2013 .

Rigid quantum Monte Carlo simulations of condensed molecular matter: water clusters in the n=2-->8 range.

J. Doll, E. Curotto, D. Freeman, 2007, The Journal of chemical physics.

The HF stretch red shift as a function of internal energy in Arn–HF (n=12,54): Comparisons in the microcanonical ensemble

E. Curotto, 2001 .

The melting of Ar54–HF: A canonical parallel tempering simulation

E. Curotto, Madhavi Rajan Ghayal, 2000 .

Isomerizations and relative kinetic stability of LJn clusters in a carrier gas

E. Curotto, 2001 .

Rigid quantum Monte Carlo simulations of condensed molecular matter: water clusters in the n=2-->8 range.

J. D. Doll, J. Doll, E. Curotto, 2007, The Journal of chemical physics.

A J-WALKING ALGORITHM FOR MICROCANONICAL SIMULATIONS : APPLICATIONS TO LENNARD-JONES CLUSTERS

Jimmie D. Doll, David L. Freeman, J. Doll, 1998 .

Canonical parallel tempering simulations of Arn-HF clusters (n=1→12): Thermodynamic properties and the redshift as a function of temperature

E. Curotto, J. Skone, 2002 .

Core to surface exchange and the melting of Ar12–HF (η=0); A j-walking-molecular-dynamics simulation

E. Curotto, Madhavi Rajan Ghayal, 1999 .

A potential energy surface of spectroscopic accuracy for a lithium ion–hydrogen clusters

E. Curotto, Gabriella E. Ravin, 2024, Chemical Physics Letters.

A stereographic projection path integral study of the coupling between the orientation and the bending degrees of freedom of water.

J. D. Doll, J. Doll, E. Curotto, 2008, The Journal of chemical physics.

A reweighted random series method for stereographic projection path integrals.

E. Curotto, 2005, The Journal of chemical physics.

Parallel tempering simulations of the 13-center Lennard-Jones dipole-dipole cluster (muD=0-->0.5 a.u.).

E. Curotto, Dawn M Pav, 2005, The Journal of chemical physics.

Parameter space minimization methods: applications to Lennard-Jones-dipole-dipole clusters.

E. Curotto, Craig A Oppenheimer, 2004, The Journal of chemical physics.

On the convergence of diffusion Monte Carlo in non-Euclidean spaces. II. Diffusion with sources and sinks.

E. Curotto, M. Mella, 2015, The Journal of chemical physics.