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Journal Articles

Dynamics of photoexcited Ba+ cations in 4He nanodroplets

Antonio Leal, Xiaohang Zhang, Manuel Barranco, Fausto Cargnoni, Alberto Hernando, David Mateo, Massimo Mella, Marcel Drabbels, Martí Pi
Journal: The Journal of Chemical Physics
J. Chem. Phys. 144, 094302 (2016)
https://doi.org/10.1063/1.4942850
Published: March 2016
View articletitled, Dynamics of photoexcited Ba+ cations in 4He nanodroplets
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Journal Articles

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

E. Curotto, Massimo Mella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 142, 114111 (2015)
https://doi.org/10.1063/1.4914516
Published: March 2015
View articletitled, On the convergence of diffusion Monte Carlo in non-Euclidean spaces. II. Diffusion with sources and sinks
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Journal Articles

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

E. Curotto, Massimo Mella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 142, 114110 (2015)
https://doi.org/10.1063/1.4914515
Published: March 2015
View articletitled, On the convergence of diffusion Monte Carlo in non-Euclidean spaces. I. Free diffusion
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Journal Articles

Communication: Nucleation of quantized vortex rings in 4He nanodroplets

David Mateo, Antonio Leal, Alberto Hernando, Manuel Barranco, Martí Pi, Fausto Cargnoni, Massimo Mella, Xiaohang Zhang, Marcel Drabbels
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 131101 (2014)
https://doi.org/10.1063/1.4870245
Published: April 2014
View articletitled, Communication: Nucleation of quantized vortex rings in 4He nanodroplets
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Journal Articles

Infinite swapping in curved spaces

E. Curotto, Massimo Mella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 140, 014103 (2014)
https://doi.org/10.1063/1.4855675
Published: January 2014
View articletitled, Infinite swapping in curved spaces
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Journal Articles

Quantum simulations of the hydrogen molecule on ammonia clusters

Massimo Mella, E. Curotto
Journal: The Journal of Chemical Physics
J. Chem. Phys. 139, 124319 (2013)
https://doi.org/10.1063/1.4821648
Published: September 2013
View articletitled, Quantum simulations of the hydrogen molecule on ammonia clusters
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Journal Articles

Exploring the importance of quantum effects in nucleation: The archetypical Nen case

Wesley Unn-Toc, Nadine Halberstadt, Christoph Meier, Massimo Mella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 137, 014304 (2012)
https://doi.org/10.1063/1.4730033
Published: July 2012
View articletitled, Exploring the importance of quantum effects in nucleation: The archetypical Nen case
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Includes: Supplementary data
Journal Articles

Higher order diffusion Monte Carlo propagators for linear rotors as diffusion on a sphere: Development and application to O2@Hen

Massimo Mella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 135, 114504 (2011)
https://doi.org/10.1063/1.3639190
Published: September 2011
View articletitled, Higher order diffusion Monte Carlo propagators for linear rotors as diffusion on a sphere: Development and application to O2@Hen
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Journal Articles

Quantum Monte Carlo simulations of selected ammonia clusters (n = 2–5): Isotope effects on the ground state of typical hydrogen bonded systems

E. Curotto, Massimo Mella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 133, 214301 (2010)
https://doi.org/10.1063/1.3506027
Published: December 2010
View articletitled, Quantum Monte Carlo simulations of selected ammonia clusters (n = 2–5): Isotope effects on the ground state of typical hydrogen bonded systems
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Journal Articles

Effect of the cluster angular momentum J and the projectile orbital momentum L on capture probability and postcollision dynamics

Massimo Mella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 131, 124309 (2009)
https://doi.org/10.1063/1.3239476
Published: September 2009
View articletitled, Effect of the cluster angular momentum J and the projectile orbital momentum L on capture probability and postcollision dynamics
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Includes: Supplementary data
Journal Articles

Thermodynamic properties of ammonia clusters ( NH 3 ) n   n = 2 – 11 : Comparing classical and quantum simulation results for hydrogen bonded species

C. Lubombo, E. Curotto, Paula E. Janeiro Barral, Massimo Mella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 131, 034312 (2009)
https://doi.org/10.1063/1.3159398
Published: July 2009
View articletitled, Thermodynamic properties of ammonia clusters ( NH 3 ) n   n = 2 – 11 : Comparing classical and quantum simulation results for hydrogen bonded species
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Journal Articles

On possible simplifications in the theoretical description of gas phase atomic cluster dissociation

Massimo Mella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 130, 084108 (2009)
https://doi.org/10.1063/1.3078449
Published: February 2009
View articletitled, On possible simplifications in the theoretical description of gas phase atomic cluster dissociation
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Journal Articles

Ground state potential energy surfaces and bound states of M – He dimers ( M = Cu , Ag , Au ) : A theoretical investigation

Fausto Cargnoni, Tomasz Kuś, Massimo Mella, Rodney J. Bartlett
Journal: The Journal of Chemical Physics
J. Chem. Phys. 129, 204307 (2008)
https://doi.org/10.1063/1.3020706
Published: November 2008
View articletitled, Ground state potential energy surfaces and bound states of M – He dimers ( M = Cu , Ag , Au ) : A theoretical investigation
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Journal Articles

Efficient and robust quantum Monte Carlo estimate of the total and spin electron densities at nuclei

P. Håkansson, Massimo Mella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 129, 124101 (2008)
https://doi.org/10.1063/1.2982930
Published: September 2008
View articletitled, Efficient and robust quantum Monte Carlo estimate of the total and spin electron densities at nuclei
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Journal Articles

Discretization error-free estimate of low temperature statistical dissociation rates in gas phase: Applications to Lennard-Jones clusters X 13 − n Y n   ( n = – 3 )

Massimo Mella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 128, 244515 (2008)
https://doi.org/10.1063/1.2937914
Published: June 2008
View articletitled, Discretization error-free estimate of low temperature statistical dissociation rates in gas phase: Applications to Lennard-Jones clusters X 13 − n Y n   ( n = – 3 )
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Journal Articles

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

T. Luan, E. Curotto, Massimo Mella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 128, 164102 (2008)
https://doi.org/10.1063/1.2898539
Published: April 2008
View articletitled, Importance sampling for quantum Monte Carlo in manifolds: Addressing the time scale problem in simulations of molecular aggregates
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Journal Articles

Macroscopic evidences for non-Rice-Ramsperger-Kassel effects in the reaction between H 3 O + and D 2 O : The occurrence of nonstatistical isotopic branching ratio

Massimo Mella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 126, 204305 (2007)
https://doi.org/10.1063/1.2742381
Published: May 2007
View articletitled, Macroscopic evidences for non-Rice-Ramsperger-Kassel effects in the reaction between H 3 O + and D 2 O : The occurrence of nonstatistical isotopic branching ratio
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Includes: Supplementary data
Journal Articles

Efficient calculation of low energy statistical rates for gas phase dissociation using umbrella sampling

Massimo Mella
Journal: The Journal of Chemical Physics
J. Chem. Phys. 124, 104302 (2006)
https://doi.org/10.1063/1.2178302
Published: March 2006
View articletitled, Efficient calculation of low energy statistical rates for gas phase dissociation using umbrella sampling
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Journal Articles

Predicting atomic dopant solvation in helium clusters: The Mg He n case

Massimo Mella, Gabriele Calderoni, Fausto Cargnoni
Journal: The Journal of Chemical Physics
J. Chem. Phys. 123, 054328 (2005)
https://doi.org/10.1063/1.1982787
Published: August 2005
View articletitled, Predicting atomic dopant solvation in helium clusters: The Mg He n case
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Includes: Supplementary data
Journal Articles

Electronic quantum Monte Carlo calculations of atomic forces, vibrations, and anharmonicities

Myung Won Lee, Massimo Mella, Andrew M. Rappe
Journal: The Journal of Chemical Physics
J. Chem. Phys. 122, 244103 (2005)
https://doi.org/10.1063/1.1924690
Published: June 2005
View articletitled, Electronic quantum Monte Carlo calculations of atomic forces, vibrations, and anharmonicities
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