Projects
Projects
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ChemLearnAI - Learning Chemistry from Electron Densities through Artificial Intelligence
ChemLearnAI - Learning Chemistry from Electron Densities through Artificial Intelligence
FUNDING: 41000€
PROGRAMME: BIRD 2024 – SID Bando Progetti P-DiSC, Dip. Scienze Chimiche, Università degli Studi di Padova (Italy)
DURATION: 29/5/24–present
PROGRAMME: BIRD 2024 – SID Bando Progetti P-DiSC, Dip. Scienze Chimiche, Università degli Studi di Padova (Italy)
DURATION: 29/5/24–present
Local Charge-Flow Analysis: A novel scheme for unravelling complex intermolecular interaction
Local Charge-Flow Analysis: A novel scheme for unravelling complex intermolecular interaction
FUNDING: 33500€
PROGRAMME: Progetti di ricerca annuali e biennali of Scuola Normale Superiore (Italy) with international peer review
DURATION: 7/9/21–30/4/22
PUBLICATIONS:
[1] Nottoli G, Ballotta B, Rampino S*, Local charge-displacement analysis: targeting local charge-flows in complex intermolecular interactions, The Journal of Chemical Physics 157, 084107, 13pp (2022)
[2] Sagresti L, Rampino S*, Charge-flow profiles along curvilinear paths: a flexible scheme for the analysis of charge displacement upon intermolecular interactions, Molecules 26, 6409, 12pp (2021)
PROGRAMME: Progetti di ricerca annuali e biennali of Scuola Normale Superiore (Italy) with international peer review
DURATION: 7/9/21–30/4/22
PUBLICATIONS:
[1] Nottoli G, Ballotta B, Rampino S*, Local charge-displacement analysis: targeting local charge-flows in complex intermolecular interactions, The Journal of Chemical Physics 157, 084107, 13pp (2022)
[2] Sagresti L, Rampino S*, Charge-flow profiles along curvilinear paths: a flexible scheme for the analysis of charge displacement upon intermolecular interactions, Molecules 26, 6409, 12pp (2021)
Development of Immersive approaches for the analysis of chemical bonding through Virtual-reality Environments
Development of Immersive approaches for the analysis of chemical bonding through Virtual-reality Environments
FUNDING: 45000€
PROGRAMME: Progetti di ricerca annuali e biennali of Scuola Normale Superiore (Italy) with international peer review
DURATION: 20/7/18–31/12/21
PUBLICATIONS:
[1] Martino M, Salvadori A, Lazzari F, Paoloni L, Nandi S, Mancini G, Barone V, Rampino S*, Chemical promenades: exploring potential-energy surfaces with immersive virtual reality, Journal of Computational Chemistry 41, 1310–1323 (2020)
[2] Salvadori A, Fusè M, Mancini G, Rampino S*, Barone V, Diving into chemical bonding: an immersive analysis of the electron charge rearrangement through virtual reality, Journal of Computational Chemistry 39, 2607–2617 (2018)
PROGRAMME: Progetti di ricerca annuali e biennali of Scuola Normale Superiore (Italy) with international peer review
DURATION: 20/7/18–31/12/21
PUBLICATIONS:
[1] Martino M, Salvadori A, Lazzari F, Paoloni L, Nandi S, Mancini G, Barone V, Rampino S*, Chemical promenades: exploring potential-energy surfaces with immersive virtual reality, Journal of Computational Chemistry 41, 1310–1323 (2020)
[2] Salvadori A, Fusè M, Mancini G, Rampino S*, Barone V, Diving into chemical bonding: an immersive analysis of the electron charge rearrangement through virtual reality, Journal of Computational Chemistry 39, 2607–2617 (2018)
Development and applications of computational methods for modeling chemical reactions
Development and applications of computational methods for modeling chemical reactions
FUNDING: 25000€
PROGRAMME: Assegno di ricerca a supporto di progetto di ricerca di base of Scuola Normale Superiore (Italy)
DURATION: 3/12/18–31/7/20
PUBLICATIONS:
[1] Ballotta B, Nandi S, Barone V, Rampino S*, Gas-Phase Formation and Isomerization Reactions of Cyanoacetaldehyde, a Prebiotic Molecule of Astrochemical Interest, ACS Earth and Space Chemistry, 5, 1071–1082 (2021)
[2] Nandi S, Ballotta B, Rampino S*, Barone V, A general user-friendly tool for kinetic calculations of multi-step reactions within the Virtual Multifrequency Spectrometer project, Applied Sciences 19, 1872, 14pp (2020)
[3] Nandi S, Calderini D, Bloino J, Rampino S*, Barone V, A modern-Fortran program for chemical kinetics on top of anharmonic vibrational calculations, Lecture Notes in Computer Science 11624, 401–412 (2019)
PROGRAMME: Assegno di ricerca a supporto di progetto di ricerca di base of Scuola Normale Superiore (Italy)
DURATION: 3/12/18–31/7/20
PUBLICATIONS:
[1] Ballotta B, Nandi S, Barone V, Rampino S*, Gas-Phase Formation and Isomerization Reactions of Cyanoacetaldehyde, a Prebiotic Molecule of Astrochemical Interest, ACS Earth and Space Chemistry, 5, 1071–1082 (2021)
[2] Nandi S, Ballotta B, Rampino S*, Barone V, A general user-friendly tool for kinetic calculations of multi-step reactions within the Virtual Multifrequency Spectrometer project, Applied Sciences 19, 1872, 14pp (2020)
[3] Nandi S, Calderini D, Bloino J, Rampino S*, Barone V, A modern-Fortran program for chemical kinetics on top of anharmonic vibrational calculations, Lecture Notes in Computer Science 11624, 401–412 (2019)
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