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Proceedings of the National Academy of Sciences of the United States of America
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October 6, 2025
Ab initio machine-learning simulation of calcium carbonate from aqueous solutions to the solid state
Pablo M Piaggi, Julian D Gale, Paolo Raiteri
The Journal of Chemical Physics
|
June 3, 2019
A local fingerprint for hydrophobicity and hydrophilicity: From methane to peptides
S Pérez-Conesa, Pablo M Piaggi, Michele Parrinello
The Journal of Physical Chemistry. B
|
May 17, 2023
Comparison of On-the-Fly Probability Enhanced Sampling and Parallel Tempering Combined with Metadynamics for Atomistic Simulations of RNA Tetraloop Folding
Kosar Rahimi, Pablo M Piaggi, Gül H Zerze
Journal of Chemical Theory and Computation
|
March 29, 2018
A Cannibalistic Approach to Grand Canonical Crystal Growth
Tarak Karmakar, Pablo M Piaggi, Claudio Perego, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
May 9, 2018
Molecular dynamics simulations of liquid silica crystallization
Haiyang Niu, Pablo M Piaggi, Michele Invernizzi, et al.
Journal of Chemical Theory and Computation
|
April 28, 2026
Water Phase Diagram from a General-Purpose Atomic Cluster Expansion Potential
Eslam Ibrahim, Yury Lysogorskiy, Ralf Drautz, et al.
The Journal of Physical Chemistry. B
|
December 10, 2021
A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded States
Gül H Zerze, Pablo M Piaggi, Pablo G Debenedetti
Nature Communications
|
May 29, 2020
Ab initio phase diagram and nucleation of gallium
Haiyang Niu, Luigi Bonati, Pablo M Piaggi, et al.
The Journal of Chemical Physics
|
August 6, 2022
Phase diagram of the TIP4P/Ice water model by enhanced sampling simulations
Sigbjørn L Bore, Pablo M Piaggi, Roberto Car, et al.
The Journal of Physical Chemistry. B
|
May 19, 2025
On the Possibility of Chiral Symmetry Breaking in Liquid Hydrogen Peroxide
Roberto Menta, Pablo G Debenedetti, Roberto Car, et al.
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of 4
Search research articles
Search
Showing results (11-20 of 34) with videos related to
Sort By:
Page
of 4
Proceedings of the National Academy of Sciences of the United States of America
|
October 6, 2025
Ab initio machine-learning simulation of calcium carbonate from aqueous solutions to the solid state
Pablo M Piaggi, Julian D Gale, Paolo Raiteri
The Journal of Chemical Physics
|
June 3, 2019
A local fingerprint for hydrophobicity and hydrophilicity: From methane to peptides
S Pérez-Conesa, Pablo M Piaggi, Michele Parrinello
The Journal of Physical Chemistry. B
|
May 17, 2023
Comparison of On-the-Fly Probability Enhanced Sampling and Parallel Tempering Combined with Metadynamics for Atomistic Simulations of RNA Tetraloop Folding
Kosar Rahimi, Pablo M Piaggi, Gül H Zerze
Journal of Chemical Theory and Computation
|
March 29, 2018
A Cannibalistic Approach to Grand Canonical Crystal Growth
Tarak Karmakar, Pablo M Piaggi, Claudio Perego, et al.
Proceedings of the National Academy of Sciences of the United States of America
|
May 9, 2018
Molecular dynamics simulations of liquid silica crystallization
Haiyang Niu, Pablo M Piaggi, Michele Invernizzi, et al.
Journal of Chemical Theory and Computation
|
April 28, 2026
Water Phase Diagram from a General-Purpose Atomic Cluster Expansion Potential
Eslam Ibrahim, Yury Lysogorskiy, Ralf Drautz, et al.
The Journal of Physical Chemistry. B
|
December 10, 2021
A Computational Study of RNA Tetraloop Thermodynamics, Including Misfolded States
Gül H Zerze, Pablo M Piaggi, Pablo G Debenedetti
Nature Communications
|
May 29, 2020
Ab initio phase diagram and nucleation of gallium
Haiyang Niu, Luigi Bonati, Pablo M Piaggi, et al.
The Journal of Chemical Physics
|
August 6, 2022
Phase diagram of the TIP4P/Ice water model by enhanced sampling simulations
Sigbjørn L Bore, Pablo M Piaggi, Roberto Car, et al.
The Journal of Physical Chemistry. B
|
May 19, 2025
On the Possibility of Chiral Symmetry Breaking in Liquid Hydrogen Peroxide
Roberto Menta, Pablo G Debenedetti, Roberto Car, et al.
Page
of 4