AIETA, CHIARA DONATELLA
AIETA, CHIARA DONATELLA
Dipartimento di Chimica
Anharmonic quantum nuclear densities from full dimensional vibrational eigenfunctions with application to protonated glycine
2020-08-28 C. Aieta, M. Micciarelli, G. Bertaina, M. Ceotto
The complex vibrational spectrum of proline explained through the adiabatically switched semiclassical initial value representation
2022-01-01 G. Botti, C. Aieta, R. Conte
Doped nano-titania: theoretical insight into structure-property relationships
2014-09-01 M. Ceotto, L. LO PRESTI, L. Loconte, D. Meroni, L. Falciola, V. Pifferi, G. Soliveri, G. Cappelletti, C.D. Aieta, R.G. Acres, S. Ardizzone
An Efficient Computational Approach for the Calculation of the Vibrational Density of States
2016-02-03 C.D. Aieta, F. Gabas, M. Ceotto
An efficient computational approach for the calculation of the vibrational density of states
2016-06-08 F. Gabas, C.D. Aieta, M. Ceotto
Fighting the curse of dimensionality with semiclassical approaches in reaction rate theory
2022-09-05 C. Aieta, G. Mandelli, F. Gabas, M. Ceotto
Heavy Atom Tunneling in Organic Reactions at Coupled Cluster Potential Accuracy with a Parallel Implementation of Anharmonic Constant Calculations and Semiclassical Transition State Theory
2022-02-08 G. Mandelli, C.D. Aieta, M. Ceotto
Improved semiclassical dynamics through adiabatic switching trajectory sampling
2019-12-07 R. Conte, L. Parma, C. Aieta, A. Rognoni, M. Ceotto
Machine learning for vibrational spectroscopy via divide-and-conquer semiclassical initial value representation molecular dynamics with application to N-methylacetamide
2020-11-28 M. Gandolfi, A. Rognoni, C.D. Aieta, R. Conte, M. Ceotto
Parallel Implementation of Anharmonic Constants to Speedup Semiclassical Transition State Theory Rate Constant Calculations
2021-06-15 G. Mandelli, C.D. Aieta, M. Ceotto
Parallel Implementation of Semiclassical Transition State Theory
2019-04-09 C. Aieta, F. Gabas, M. Ceotto
Parallel Implementation of Semiclassical Transition State Theory and its application to high-dimensional tunneling reactions
2019-06-20 C. Aieta, F. Gabas, M. Ceotto
Quantum and Semiclassical Methods for Molecular Rate Constants and Vibrational Spectra Calculations
2017-07-03 M. Ceotto, C. Aieta, F. Gabas, G. Di Liberto, R. Conte
QUANTUM AND SEMICLASSICAL METHODS FOR RATE CONSTANT CALCULATIONS
2018-02-02 C.D. Aieta
A quantum approximate method for the calculation of thermal reaction rate constants
2016-06-08 C.D. Aieta, M. Ceotto
A quantum approximate method for the calculation of thermal reaction rate constants
2016-06-14 C.D. Aieta, M. Ceotto
A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral
2017-01-01 C. Aieta, M. Ceotto
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics
2021-09-24 C. Aieta, M. Micciarelli, G. Bertaina, M. Ceotto
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics
2022-06-15 C.D. Aieta, M. Micciarelli, G. Bertaina, M. Ceotto
Quantum nuclear densities from semiclassical on-the-fly molecular dynamics
2021-09-21 C. Aieta, M. Micciarelli, G. Bertaina, M. Ceotto