Sfoglia per Rivista THE JOURNAL OF CHEMICAL PHYSICS
A density-functional approach to polarizable models: A Kim-Gordon response density interaction potential for molecular simulations
2005-01-01 Tabacchi, Gloria; Hutter, J; Mundy, Cj
A diffusion Monte Carlo accurate interaction potential between H and PsH
2000-01-01 Mella, Massimo; Morosi, Gabriele; Bressanini, Dario
A spline approach to trial wave functions for variational and diffusion Monte Carlo
1999-01-01 Bressanini, Dario; G., Fabbri; Mella, Massimo; Morosi, Gabriele
Annihilation rate in positronic systems by quantum Monte Carlo: e(+)LiH as test case
2002-01-01 Mella, Massimo; S., Chiesa; Morosi, Gabriele
Antisymmetry in the quantum Monte Carlo method with the A‐function technique: H b Σ, H c Π, He 1 S
1993-01-01 R., Bianchi; Bressanini, Dario; P., Cremaschi; Morosi, Gabriele
Bayesian calibration of force-fields from experimental data: TIP4P water
2018-01-01 Dutta, Ritabrata; Brotzakis, Zacharias Faidon; Mira, Antonietta
Broken particle-hole symmetry in critical fluids
1988-01-01 Goldstein, R. E.; Parola, Alberto
Cation-anion versus cation-framework interactions in sodalites: First-principles study of model Cu-exchanged sodalites
1999-01-01 Bernasconi, L; Fois, ETTORE SILVESTRO; Selloni, A.
Classical polarizable force fields parametrized from ab initio calculations
2002-01-01 Tabacchi, Gloria; Mundy, Cj; Hutter, J; Parrinello, M.
Communication: Nucleation of quantized vortex rings in 4He nanodroplets
2014-01-01 Mateo, D.; Leal, A.; Hernando, A.; Barranco, M.; Pi, M.; Cargnoni, F.; Mella, Massimo; Zhang, X.; Drabbels, M.
Compact boundary-condition-determined wave function for positronium hydride (PsH)
2003-01-01 Bressanini, Dario; Morosi, Gabriele
Comparison of different propagators in diffusion Monte Carlo simulations of noble gas clusters
2003-01-01 S., Chiesa; Mella, Massimo; Morosi, Gabriele; Bressanini, Dario
Computing accurate forces in quantum Monte Carlo using Pulay's corrections and energy minimization
2003-01-01 M., Casalegno; Mella, Massimo; A. M., Rappe
Conjugating precision and acquisition time in a Doppler broadening regime by interleaved frequency-agile rapid-scanning cavity ring-down spectroscopy
2017-01-01 Gotti, Riccardo; Gatti, Davide; Masłowski, Piotr; Lamperti, Marco; Belmonte, Michele; Laporta, Paolo; Marangoni, Marco
CONTROL OF THE ADIABATIC ELECTRONIC STATE IN ABINITIO MOLECULAR-DYNAMICS
1993-01-01 Fois, ETTORE SILVESTRO; Penman, J. I.; Madden, P. A.
CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations
2020-01-01 Kühne, Thomas D.; Iannuzzi, Marcella; Del Ben, Mauro; Rybkin, Vladimir V.; Seewald, Patrick; Stein, Frederick; Laino, Teodoro; Khaliullin, Rustam Z.; Schütt, Ole; Schiffmann, Florian; Golze, Dorothea; Wilhelm, Jan; Chulkov, Sergey; Bani-Hashemian, Mohammad Hossein; Weber, Valéry; Borštnik, Urban; Taillefumier, Mathieu; Jakobovits, Alice Shoshana; Lazzaro, Alfio; Pabst, Hans; Müller, Tiziano; Schade, Robert; Guidon, Manuel; Andermatt, Samuel; Holmberg, Nico; Schenter, Gregory K.; Hehn, Anna; Bussy, Augustin; Belleflamme, Fabian; Tabacchi, Gloria; Glöß, Andreas; Lass, Michael; Bethune, Iain; Mundy, Christopher J.; Plessl, Christian; Watkins, Matt; Vandevondele, Joost; Krack, Matthias; Hutter, Jürg
Delayed rejection variational Monte Carlo
2004-01-01 Bressanini, Dario; Morosi, Gabriele; Tarasco, Silvia; Mira, Antonietta
Diffusion Monte Carlo simulations of gas phase and adsorbed D2-(H2)nclusters
2018-01-01 Curotto, E.; Mella, M.
Dipolar host guest interactions and geometrical confinement at the basis of the stability of one-dimensional ice in zeolite bikitaite
1999-01-01 Fois, ETTORE SILVESTRO; Tabacchi, Gloria; Quartieri, S; Vezzalini, G.
Discretization error-free estimate of low temperature statistical dissociation rates in gas phase: Applications to Lennard-Jones clusters X(13-n)Y(n) (n=0-3)
2008-01-01 Mella, Massimo
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| A density-functional approach to polarizable models: A Kim-Gordon response density interaction potential for molecular simulations | 1-gen-2005 | Tabacchi, Gloria; Hutter, J; Mundy, Cj | |
| A diffusion Monte Carlo accurate interaction potential between H and PsH | 1-gen-2000 | Mella, Massimo; Morosi, Gabriele; Bressanini, Dario | |
| A spline approach to trial wave functions for variational and diffusion Monte Carlo | 1-gen-1999 | Bressanini, Dario; G., Fabbri; Mella, Massimo; Morosi, Gabriele | |
| Annihilation rate in positronic systems by quantum Monte Carlo: e(+)LiH as test case | 1-gen-2002 | Mella, Massimo; S., Chiesa; Morosi, Gabriele | |
| Antisymmetry in the quantum Monte Carlo method with the A‐function technique: H b Σ, H c Π, He 1 S | 1-gen-1993 | R., Bianchi; Bressanini, Dario; P., Cremaschi; Morosi, Gabriele | |
| Bayesian calibration of force-fields from experimental data: TIP4P water | 1-gen-2018 | Dutta, Ritabrata; Brotzakis, Zacharias Faidon; Mira, Antonietta | |
| Broken particle-hole symmetry in critical fluids | 1-gen-1988 | Goldstein, R. E.; Parola, Alberto | |
| Cation-anion versus cation-framework interactions in sodalites: First-principles study of model Cu-exchanged sodalites | 1-gen-1999 | Bernasconi, L; Fois, ETTORE SILVESTRO; Selloni, A. | |
| Classical polarizable force fields parametrized from ab initio calculations | 1-gen-2002 | Tabacchi, Gloria; Mundy, Cj; Hutter, J; Parrinello, M. | |
| Communication: Nucleation of quantized vortex rings in 4He nanodroplets | 1-gen-2014 | Mateo, D.; Leal, A.; Hernando, A.; Barranco, M.; Pi, M.; Cargnoni, F.; Mella, Massimo; Zhang, X.; Drabbels, M. | |
| Compact boundary-condition-determined wave function for positronium hydride (PsH) | 1-gen-2003 | Bressanini, Dario; Morosi, Gabriele | |
| Comparison of different propagators in diffusion Monte Carlo simulations of noble gas clusters | 1-gen-2003 | S., Chiesa; Mella, Massimo; Morosi, Gabriele; Bressanini, Dario | |
| Computing accurate forces in quantum Monte Carlo using Pulay's corrections and energy minimization | 1-gen-2003 | M., Casalegno; Mella, Massimo; A. M., Rappe | |
| Conjugating precision and acquisition time in a Doppler broadening regime by interleaved frequency-agile rapid-scanning cavity ring-down spectroscopy | 1-gen-2017 | Gotti, Riccardo; Gatti, Davide; Masłowski, Piotr; Lamperti, Marco; Belmonte, Michele; Laporta, Paolo; Marangoni, Marco | |
| CONTROL OF THE ADIABATIC ELECTRONIC STATE IN ABINITIO MOLECULAR-DYNAMICS | 1-gen-1993 | Fois, ETTORE SILVESTRO; Penman, J. I.; Madden, P. A. | |
| CP2K: An electronic structure and molecular dynamics software package - Quickstep: Efficient and accurate electronic structure calculations | 1-gen-2020 | Kühne, Thomas D.; Iannuzzi, Marcella; Del Ben, Mauro; Rybkin, Vladimir V.; Seewald, Patrick; Stein, Frederick; Laino, Teodoro; Khaliullin, Rustam Z.; Schütt, Ole; Schiffmann, Florian; Golze, Dorothea; Wilhelm, Jan; Chulkov, Sergey; Bani-Hashemian, Mohammad Hossein; Weber, Valéry; Borštnik, Urban; Taillefumier, Mathieu; Jakobovits, Alice Shoshana; Lazzaro, Alfio; Pabst, Hans; Müller, Tiziano; Schade, Robert; Guidon, Manuel; Andermatt, Samuel; Holmberg, Nico; Schenter, Gregory K.; Hehn, Anna; Bussy, Augustin; Belleflamme, Fabian; Tabacchi, Gloria; Glöß, Andreas; Lass, Michael; Bethune, Iain; Mundy, Christopher J.; Plessl, Christian; Watkins, Matt; Vandevondele, Joost; Krack, Matthias; Hutter, Jürg | |
| Delayed rejection variational Monte Carlo | 1-gen-2004 | Bressanini, Dario; Morosi, Gabriele; Tarasco, Silvia; Mira, Antonietta | |
| Diffusion Monte Carlo simulations of gas phase and adsorbed D2-(H2)nclusters | 1-gen-2018 | Curotto, E.; Mella, M. | |
| Dipolar host guest interactions and geometrical confinement at the basis of the stability of one-dimensional ice in zeolite bikitaite | 1-gen-1999 | Fois, ETTORE SILVESTRO; Tabacchi, Gloria; Quartieri, S; Vezzalini, G. | |
| Discretization error-free estimate of low temperature statistical dissociation rates in gas phase: Applications to Lennard-Jones clusters X(13-n)Y(n) (n=0-3) | 1-gen-2008 | Mella, Massimo |
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