CEOTTO, MICHELE
CEOTTO, MICHELE
Dipartimento di Chimica
"Divide and conquer" semiclassical molecular dynamics : A practical method for spectroscopic calculations of high dimensional molecular systems
2018 G. Di Liberto, R. Conte, M. Ceotto
A Close Look at the Structure of the TiO2 ‑APTES Interface in Hybrid Nanomaterials and Its Degradation Pathway : An Experimental and Theoretical Study
2017 D. Meroni, L. Lo Presti, G. Di Liberto, M. Ceotto, R.G. Acres, K.C. Prince, R. Bellani, G. Soliveri, S. Ardizzone
A Concerted Electrochemical and Theoretical Investigation of the Ag/TiO2 nano-heterojunction
2019 L. Falciola, V. Pifferi, G. Di Liberto, L. Lo Presti, M. Ceotto
A Concerted Investigation For Metal/Semiconductor Nanointerface : Interlayer Charge Transfer At Ag/TiO2
2018 V. Pifferi, G. Di Liberto, L. Lo Presti, M. Ceotto, L. Falciola
A concerted investigation of the interlayer charge transfer in Silver/Anatase nanocomposites
2018 V. Pifferi, G. DI LIBERTO, L. LO PRESTI, M. Ceotto, L. Falciola
A General Purpose Implementations of Semiclassical Molecular Dynamics for CPU and GPU hardware
2014 M. Ceotto
A Novel Route For Preparation Of Transparent, Mechanically Robust And Photoactive Titania Films
2013 D. Meroni, V. Pifferi, L. Falciola, G. Soliveri, M. Ceotto, L. Lo Presti, G. Cappelletti, S. Ardizzone
A quantum approximate method for the calculation of thermal reaction rate constants
2016 C.D. Aieta, M. Ceotto
A quantum approximate method for the calculation of thermal reaction rate constants
2016 C.D. Aieta, M. Ceotto
A quantum mechanical insight into S(N)2 reactions: Semiclassical initial value representation calculations of vibrational features of the Cl-center dot center dot center dot CH3Cl pre-reaction complex with the VENUS suite of codes
2018 X. Ma, G. Di Liberto, R. Conte, W.L. Hase, M. Ceotto
A quantum method for thermal rate constant calculations from stationary phase approximation of the thermal flux-flux correlation function integral
2017 C. Aieta, M. Ceotto
A reduced-dimensionality quantum model which incorporates the full-dimensional energy of the system: Application to the vibrational predissociation of Cl-2-Ne-2
2001 M. Ceotto, A. García Vela
A Semiclassical Divide and Conquer method for Spectroscopic calculations of high dimensional molecular systems
2017 G. DI LIBERTO, R. Conte, M. Ceotto
A semiclassical investigation of glycine vibrational frequencies
2016 R. Conte, F. Gabas, M. Ceotto
Ab initio direct semiclassical molecular dynamics
2013 M. Ceotto
Ab-initio and force field molecular dynamics applied to vibrational spectroscopy: the case of Deoxyguanosine and Ac-Phe-Met-NH2
2018 F. Gabas, R. Conte, M. Ceotto
About the nitrogen location in nanocrystalline N-Doped TiO2: combined DFT and EXAFS approach
2012 M. Ceotto, L. Lo Presti, G. Cappelletti, D. Meroni, F. Spadavecchia, R. Zecca, M. Leoni, P. Scardi, C.L.M. Bianchi, S. Ardizzone
Accelerated direct semiclassical molecular dynamics using a compact finite difference Hessian scheme
2013 M. Ceotto, Y. Zhuang, W.L. Hase
Accelerated superposition state molecular dynamics for condensed phase systems
2008 M. Ceotto, G.S. Ayton, G.A. Voth
Accurate and efficient pre-exponential factor approximations for the semiclassical initial value representation propagator
2016 G. Di Liberto, M. Ceotto