Publications in peer-reviewed journals :

P1 F. Gatti N. Berthe-Gaujac, I. Demachy, and F. Volatron,"Electronic and geometrical structure of H2B-O-BH2, an ab initio study", Chemical physics Letters 232 (1995) 503.

P2 F. Gatti Y. Justum, M. Menou, A. Nauts and X. Chapuisat, "Quantum-Mechanical Description of Rigidly or Adiabatically Constrained Molecular Systems", Journal of Molecular spectroscopy 181 (1997) 403.

P3 Y. Justum, F. Gatti and X. Chapuisat, "One-dimensional Quantum Description of Bending Vibrations of HCN/CNH", Journal of Molecular Structure (THEOCHEM) 453 (1998) 131.

P4 F. Gatti C. Iung, M. Menou, Y. Justum, A. Nauts, and X. Chapuisat, "Vector parametrization of the N-atom problem in quantum mechanics. I Jacobi vectors", Journal of Chemical Physics 108 (1998) 8804.

P5 F. Gatti C. Iung, M. Menou, and X. Chapuisat, "Vector parametrization of the N-atom problem in quantum mechanics. II Coupled-angular-momentum spectral representations for four-atom systems." Journal of Chemical Physics 108 (1998) 8821.

P6 F. Gatti C. Iung, C. Leforestier, M. Menou, Y. Justum, A. Nauts, X. Chapuisat, "Vector Parametrization of the three-atom Problem in Quantum Mechanics", Journal of Molecular Structure (THEOCHEM) 424 (1998) 181.

P7 F. Gatti, C. Iung and X. Chapuisat, "Vector Parametrization of the three-atom Problem in Quantum Mechanics. II Valence Vectors", Journal of Molecular Structure (THEOCHEM) 430 (1998) 201.

P8 F. Gatti, "Vector parametrization of the N-atom problem in quantum mechanics. III Separation into two sub-systems", Journal of Chemical Physics 111 (1999) 7225.

P9 F. Gatti C. Iung, C. Leforestier, and X. Chapuisat, "Fully Coupled 6D Calculations of the Ammonia Vibration-Inversion-Tunneling States with a Split Pseudo-Spectral Approach", Journal of Chemical Physics 111 (1999) 7236.

P10 C. Iung, F. Gatti A. Viel, and X. Chapuisat, "Vector parametrization of the N-atom problem in quantum mechanics. Non-orthogonal coordinates", Phys. Chem. Chem. Phys. 1 (1999) 3377.

P11 F. Gatti M. Beck, G. Worth and H.-D. Meyer, "A hybrid approach of the multi-configuration time-dependent Hartree and filter-diagonalization methods for computing bound-state spectra. Application to HO2", Phys. Chem. Chem. Phys. 3 (2001) 1576.

P12 C. Leforestier, A. Viel, F. Gatti C. Munoz, and C. Iung, "The Jacobi-Wilson method : A new approach to the description of polyatomic molecules", Journal of Chemical Physics 114 (2001) 2099.

P13 F. Gatti C. Munoz, and C. Iung, « A general expression of the kinetic energy operator in spherical coordinates", Journal of Chemical Physics 114 (2001) 8275.

P14 C. Leforestier, F. Gatti R. S. Fellers and R. J. Saykally, "Determination of a flexible (12D) water dimer potential via direct inversion of spectroscopic data", Journal of Chemical Physics 117 (2002) 8710.

P15 Y. Justum, F. Gatti D. lauvergnat, A. Nauts and X. Chapuisat, "One-dimensional quantum description of the bending of HCN/CNH for high values of the total angular momentum", Spectrochimica Acta Part A 58 (2002) 649.

P16 F. Gatti and A. Nauts, "Vector parametrization, partial angular momenta and unusual commutation relations in molecular physics", Chem. Phys. 295 (2003) 167.

P17 F. Gatti and C. Iung, "Exact and constrained kinetic energy operators in polyspherical coordinates", J. Theo. Comp. Chem. 2 (2003) 507.

P18 F. Gatti, "Flexible monomer formulation for non-rigid systems", Chemical Physics Letters 373 (2003) 146.

P19 B. Lasorne, F. Gatti, E. Baloitcha, H.-D. Meyer and M. Desouter-Lecomte, "Cumulative isomerization probability studied by various transition state wave packet methods including the MCTDH algorithm. Benchmark : HCN/CNH isomerization", Journal of Chemical Physics 121 (2004) 644.

P20 F. Gatti and H.-D. Meyer, "Intramolecular Vibrational Energy Redistribution in Toluene : a nine dimensional Quantum mechanical study using the MCTDH algorithm", Chemical Physics 304 (2004) 3.

P21 C. Iung, F. Gatti and H.-D. Meyer, "Intramolecular Vibrational Energy Redistribution in the highly excited Fluoroform Molecule : a Quantum MCTDH study", Journal of Chemical Physics 120 (2004) 6992.

P22 F. Richter, P. Rosmus, F. Gatti and H.-D. Meyer, "Time-dependent Wavepacket Study on trans-cis Isomerization of HONO", Journal of Chemical Physics 120 (2004) 6072.

P23 F. Richter, M. Hochlaf, P. Rosmus, F. Gatti and H.-D. Meyer, "A study of the mode-selective trans-cis isomerization in HONO using ab initio methodology", Journal of Chemical Physics 120 (2004) 1306.

P24 F. Gatti, F. Otto, S. Sukiasyan, and H.-D. Meyer, "Rotational Excitation Cross Sections of para-H2 + para-H2. A Full-Dimensional Wave Packet Propagation Study Using an Exact Form of the Kinetic Energy", J. Chem. Phys. 123 (2005) 174311.

P25 B. Pouilly, M. Monnerville, F. Gatti, and H.-D. Meyer, "Wave packet study of the UV photodissociation of the Ar2HBr complex", Journal of Chemical Physics 122 (2005) 184313.

P26 H.-D. Meyer, F. Le Quéré, C. Léonard, and F. Gatti, "Calculation and selective population of vibrational levels with the MCTDH algorithm", Chem. Phys. 329 (2006) 179.

P27 G. Pasin, F. Gatti, C. Iung, and H.-D. Meyer, "Theoretical investigation of intramolecular vibrational energy redistribution in highly excited HFCO", J. Chem. Phys. 124 (2006) 19430.

P28 C. Iung and F. Gatti, "Polyspherical Parametrization of an N-atom system : Principles and Applications", Int. J. Quan. Chem. 106 (2006) 130.

P29 F. Gatti, "Novel Perspectives in Quantum Dynamics", Theo. Chem. Acc. 116 (2006) 60.

P30 A. N. Panda, F. Otto, H.-D. Meyer, and F. Gatti, "Rovibrational energy transfer in ortho-H2 + para-H2 collisions", J. Chem. Phys. 127 (2007)114310.

P31 O. Vendrell, F. Gatti, and H.-D. Meyer, "Dynamics and Infrared Spectroscopy of the Protonated Water Dimer. », Angewandte Chemie Int. Ed. (Very Important paper) 46 (2007) 6918.

P32 O. Vendrell, D. Lauvergnat, F. Gatti, and H.-D. Meyer, "Full Dimensional (15D) Quantum-Dynamical Simulation of the Protonated Water-Dimer I : Hamiltonian Setup and Analysis of the Ground Vibrational State." J. Chem. Phys. 127 (2007)184302.

P33 O. Vendrell, F. Gatti, and H.-D. Meyer, "Full Dimensional (15D) Quantum-
Dynamical Simulation of the Protonated Water-Dimer II : Infrared Spectrum and Vibrational Dynamics", J. Chem. Phys. 127 (2007)184303.

P34 F. Richter, F. Gatti, C. Léonard, F. Le Quéré and H.-D. Meyer, "Time-dependent Wavepacket Study on trans-cis Isomerization of HONO with an external field", J. Chem. Phys. 127 (2007)164315.

P35 M. Brill, F. Gatti, D. Lauvergnat and H.-D. Meyer, "Photoinduced nonadiabatic dynamics of ethene : Six dimensional wave packet propagations using two different approximations of the kinetic energy operator", Chem. Phys. 338 (2007) 186.

P36 M. Bittner, H. Koeppel and F. Gatti, "A mutli-dimensional quantum dynamical study of beta-hydrogen transfer in a cationic rhodium complex", J. Phys. Chem. A 111 (2007) 2407.

P37 G. Pasin, C. Iung, F. Gatti, and H.-D. Meyer, "Theoretical investigation of intramolecular vibrational energy redistribution in highly excited DFCO", J. Chem. Phys. 126 (2007) 024302.

P38 L. Joubert Doriol, F. Gatti, C. Iung and H.-D. Meyer, "Computation of vibrational energy levels of Fluoroform using the MCTDH method", J. Chem. Phys. 129 (2008) 224109.

P39 G. Pasin, C. Iung, F. Gatti, F. Richter, C. Leonard, and H.-D. Meyer, "Theoretical investigation of Intramolecular Vibrational Energy Redistribution in HFCO and DFCO induced by an external field", J. Chem. Phys. 129 (2008) 144304.

P40 F. Otto, H.-D. Meyer, and F. Gatti, "Rotational excitations in para-H2 + para-H2 collisions : Full- and reduced-dimensional quantum wave packet studies comparing different potential energy surfaces", J. Chem. Phys. 128 (2008) 064305.

P41 F. Gatti and C. Iung, "Exact and constrained kinetic energy operators for polyatomic molecules : The polyspherical approach", Physics Reports 484 (2009) 1-69.

P42 O. Vendrell, F. Gatti, and H.-D. Meyer, "Full Dimensional (15D) Quantum-Dynamical Simulation of the Protonated Water-Dimer IV : Infrared spectroscopy of D(D2O)2+, H(D2O)2+ and D(H2O)2+ isotopomers", J. Chem. Phys. 131 (2009) 034308.

P43 O. Vendrell, M. Brill F. Gatti, D. Lauvergnat and H.-D. Meyer, "Full Dimensional (15D) Quantum-Dynamical Simulation of the Protonated Water-Dimer III : Mixed Jacobi-valence parametrization and benchmark results for the zero-point-energy, vibrationally excited states and infrared spectrum", J. Chem. Phys. 130 (2009)
234305.

P44 O. Vendrell, F. Gatti, and H.-D. Meyer, "Strong Isotope Effects in the Infrared Spectrum of the Zundel Cation", Angewandte Chemie Int. Ed (Very Important paper) 48 (2009) 352.

P45 L. Jutier, C. Léonard and F. Gatti, "Renner-Teller effect in linear tetra-atomic molecules : I. Variational method including couplings between all degrees of freedom on six-dimensional potential energy surface of HCCH+", J. Chem. Phys. 130 (2009) 134302.

P46 L. Jutier, C. Léonard and F. Gatti, "Renner-Teller effect in linear tetra-atomic molecules II. Rovibronic levels analysis of the X2Piu electronic state of HCCH+", J. Chem. Phys. 130 (2009) 134301.

P47 B. Lasorne, M. A. Robb, H.-D. Meyer and F. Gatti, "The Electronic Excited States of Ethylene with Large-Amplitude Deformations : a Dynamical Symmetry Group Investigation", Chem. Phys. 377 (2010) 30.

P48 A. Nauts F. Gatti, "Anomalous commutation relations in physics", Am. J. Phys. 78 (2010) 1365.

P49 E. Gromov, A. Trofimov, G.-J. Kroes, F. Gatti and H. Koeppel, "Theoretical study of photoinduced ring-opening in furan", J. Chem. Phys. 133 (2010) 164309.

P50 G. P. Krishnamohan, R. A. Olsen, G.-J. Kroes, F. Gatti and S. Woittequand, "Quantum dynamics of dissociative chemisorption of CH4 on Ni(111) : Influence of the bending vibration", J. Chem. Phys. 133 (2010) 144308.

P51 R. Marquardt, M. Sanrey F. Gatti and F. Lequéré, "Full dimensional quantum dynamics of vibrationally highly excited NHD2", J. Chem. Phys. 133 (2010) 174302.

P52 S. Ndengué F. Gatti R. Schinke, H.-D. Meyer and R. Jost, "Absorption cross section of ozone isotopologues calculated with the Multiconfiguration Time-Dependent Hartree (MCTDH) method : I. the Hartley and Huggins bands", J. Phys. Chem. A 114 (2010) 9855.

P53 M. Schröder, F. Gatti and H.-D. Meyer, “Theoretical studies of the tunneling splitting of malonaldehyde using the multiconfiguration time-dependent Hartree approach”, J. Chem. Phys. 134, (2011) 234307.

P54 L. Blancafort, F. Gatti H.-D. Meyer, "Quantum dynamics study of fulvene double
bond photoisomerization : the role of intramolecular vibrational energy redistribution and excitation energy”, J. Chem. Phys. 135, (2011) 134303.

P55 E. V. Gromov, C. Leveque , F. Gatti , I. Burghardt , H. Koeppel, “Ab initio quantum dynamical study of photoinduced ring-opening in furan”, J. Chem. Phys. 135, (2011) 164305.

P56 M. Dong, L. Joubert Doriol, H.-D. Meyer, A. Nauts F. Gatti , D. Lauvergnat, "Exact and analytical kinetic energy operator setup based on the polyspherical approach", J. Chem. Phys. 136 (2012) 034107.

P57 F. Gatti and R. Marquardt, "Stereomutation in vibrationally excited NHD2", Comp. Theo. Chem. 990 (2012) 90.

P58 L. Joubert Doriol, B. Lasorne, F. Gatti , M. Schröder, O. Vendrell, H.-D. Meyer, "Suitable Coordinates for Quantum Dynamics of Large-Amplitude Motions : Applications of the Multiconfiguration Time-Dependent Hartree (MCTDH) algorithm", Comp Theo. Chem. 990 (2012) 75.

P59 M. Sala, F. Gatti , D. Lauvergnat and H.-D. Meyer, "Effect of the overall rotation on the cis-trans isomerization of HONO induced by an external field", P.C.C.P. 14 (2012) 3791.

P60 F. Otto, F. Gatti , and H.-D. Meyer, "Rovibrational Energy Transfer in Collisions of H2 with D2. A full-dimensional Wave Packet Propagation Study", Mol. Phys. 110 (2012) 619.

P61 M. Sala, S. Guérin, F. Gatti , R. Marquardt and H.-D. Meyer, "Laser-induced enhancement of tunneling in NHD2", J. Chem. Phys. 136 (2012) 194308.

P62 K. Sadri, S. Guérin, D. Lauvergnat, F. Gatti , and H.-D. Meyer, "Numeric kinetic energy operators for molecules in polyspherical coordinates", J. Chem. Phys. 136 (2012) 234112.

P63 J. Jornet Somoza, B. Lasorne, M. Robb, H.-D. Meyer, D. Lauvergnat, and F. Gatti, "A generalized 17-state vibronic-coupling Hamiltonian model for ethylene", J. Chem. Phys. 137 (2012) 084304.

P64 S. Ndengué, R. Schincke, F. Gatti H.-D. Meyer and R. Jost, "Comparison of the Huggins band for six ozone isotopologues : vibrational levels and Absorption Cross Section", J. Phys. Chem. A 116 (2012) 12260.

P65 S. Ndengué, R. Schincke, F. Gatti H.-D. Meyer and R. Jost, "Ozone photodissociation : isotopic and electronic branching ratios for asymmetric isotopologues", J. Phys. Chem. A 116 (2012) 12271.

P66 G. Halasz, A : Perveaux, B. Lasorne, F. Gatti and A. Vibok, "Laser-induced quantum dynamics of electronic and nuclear motion in the ozone molecule on the attosecond time scale", Phys. Rev. A 86 (2012) 043426.

P67 R. F. Malenda F. Gatti H.-D. Meyer, D. Talbi and A. P. Hickman, "Comparison of the muti-configuration time-dependent Hartree (MCTDH) method with Arthurs and Dalgarmo coupled-channel method for rotationnally inelastic scattering", Chem.
Phys. Letters 585 (2013) 184.

P68 G. Halasz, A : Perveaux, B. Lasorne, F. Gatti and A. Vibok, "Coherence revival during the attosecond electronic and nuclear quantum photodynamics of the ozone molecule", Phys. Rev. A 88 (2013) 023425.

P69 M. Dong, L. Joubert Doriol, H.-D. Meyer, A. Nauts F. Gatti , D. Lauvergnat, "Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach : general formulation and removal of singularities", J. Chem. Phys. 139 (2013) 204107.

P70 E. Gromov, V S. Reddy, F. Gatti, and H. Koeppel, "Reaction surface approach to multimode vibronic coupling problems : general framework and application to furan", J. Chem. Phys. 139 (2013) 234306.

P71 S. Ndengué, S. Madronich F. Gatti H.-D. Meyer and O. Motapon and R. Jost, "Ozone Photolysis : strong isotopologue/isotopomer selectivity in the stratosphere", Journal of Geophysical Research 119 (2014) 4286.

P72 L. Joubert-Doriol, B. Lasorne, D. Lauvergnat, H.-D. Meyer, F. Gatti, "A generalized vibronic-coupling Hamiltonian model for benzopyran", J. Chem. Phys. 140 (2014) 044301.

P73 B. Lasorne, J. Jornet Somoza, H.-D. Meyer, D. Lauvergnat, M. Robb, and F. Gatti, "Vertical transition energies vs. absorption maxima : Illustration with the UV absorption spectrum of ethylene", Spectra Chemica Acta A 119 (2014) 52.

P74 M. Saab, L. Joubert Doriol, B. Lasorne, J. Jornet Somoza, S. Guérin and F. Gatti, "A quantum dynamics study of the benzopyran ring opening guided by laser pulses", Chem. Phys. 442 (2014) 93.

P75 A. Perveaux, D. Lauvergnat, B. Lasorne, F. Gatti M. A. Robb, G. J. Halasz and A. Vibok, "Attosecond electronic and nuclear quantum photodynamics of ozone : time-dependent Dyson orbitals and dipole", J. Phys. B 47 (2014) 124010.

P76 M. Sala, M. Saab, B. Lasorne, F. Gatti and S. Guérin, "Laser control of the radiationless decay in pyrazine using the dynamic Stark effect", J. Chem. Phys. 140 (2014) 194309.

P77 K. Sadri, D. Lauvergnat, F. Gatti and H.-D. Meyer, "Rovibrational spectroscopy using a kinetic energy operator in Eckart frame and the Multi-Configuration Time-Dependent Hartree (MCTDH) approach", J. Chem. Phys. 141 (2014) 114101.

P78 M. Sala, B. Lasorne, F. Gatti and S. Guérin, "The role of the low-lying dark npi* states on the physics of pyrazine : a quantum dynamics study", P.C.C.P. 16 (2014) 15957.

P79 A. Perveaux, D. Lauvergnat, F. Gatti M. A. Robb, G. J. Halasz, A. Vibok and B. Lasorne, "Monitoring the Birth of an Electronic Wavepacket in a Molecule with Attosecond Time-Resolved Photoelectron Spectroscopy", J. Phys. Chem. A 118
(2014) 8773.

P80 M. Saab, M. Sala, B. Lasorne, S. Guérin, and F. Gatti, "Full-dimensional control of the radiationless decay in pyrazine using the dynamic Stark effect", J. Chem. Phys. 141 (2014) 134114.

P81 M. Sala, F. Gatti and S. Guérin, "Coherent destruction of tunneling in a six-dimensional model of NHD2 : A computational study using the multi-configuration time-dependent Hartree method", J. Chem. Phys. 141 (2014) 164326.

P82 T. Firmino, R. Marquardt F. Gatti and W. Dong, "Diffusion Rates for Hydrogen on Pd(111) from Molecular Quantum Dynamics Calculations", J.Phys. Chem. Letters, 5 (2014) 4270.

P83 Gu Xiaoyang, Shi-Hai Dong, Jian-Qiang Sun and F. Gatti, "Symmetry and Group Theory and Its Application to Few-Body Physics", Advances in Mathematical Physics 214 (2014) 1.

P84 S. Ndengué, R. Dawes and F. Gatti, "Rotational excitations in CO-CO collisions at low temperature : Time Independent and Multiconfiguration Time Dependent Hartree calculations", J. Phys. Chem. A 119 (2015) 7712.

P85 S. Ndengué, R. Dawes, F. Gatti and H.-D. Meyer, "Resonances of HCO Computed Using an Approach Based on the Multiconfiguration Time Dependent Hartree Method", J. Phys. Chem. A 119 (2015) 12043.

P86 M. Sala, S. Guérin and F. Gatti, "Quantum dynamics of the photostability of pyrazine", PCCP 17 (2015) 29397.

P87 M. del Cueto, A. S. Muzas, G. Füchsel, F. Gatti , F. Martin and C. Diaz, "Role of van der Waals forces in the diffraction of noble gases from metal surfaces", Rapid communications in Physical Review B 93 (2016) 060301.

P88 A. S. Muzas, F. Gatti , F. Martin and C. Diaz, "Diffraction of H from LiF(001) : From slow normal incidence to fast grazing incidence", Nuclear Instruments and Methods in Physics Research Section B, 382 (2016) 49.

P89 Z. Zhao, J. Chen, Z. Zhang ; D. H. Zhang, D. Lauvergnat and F. Gatti, "Full-dimensional vibrational calculations of five-atom molecules using a combination of Radau and Jacobi coordinates : Applications to methane and fluoromethane", 114, J. Chem. Phys. (2016) 204302.

P90 T. Firmino, E. Mangaud, F. Cailliez, A. Devolver, D. Mendive-Tapia, F. Gatti, C. Meier, M. Desouter-Lecomte, A. de la Lande, « Quantum Effects in Ultrafast Electron Transfers within Cryptochromes », P.C. C. P., 18 (2016) 21442.

P91 P. Decleva, N. Quadri, A. Perveaux, D. Lauvergnat, F. Gatti, B. Lasorne, G. J. Halász and Á. Vibók, “Attosecond electronic and nuclear quantum photodynamics of ozone monitored with time and angle resolved photoelectron spectra”, Scientific Reports, 6 (2016) 36613.

P92 D. Mendive-Tapia, T. Firmino, H.-D. Meyer and F. Gatti, “Towards a systematic convergence of Multi-Layer (ML) multi-configuration time-dependent Hartree nuclear wavefunctions : the ML-spawning algorithm”, Chem. Phys. 482 (2017) 113.

P93 S. Ndengué, R. Dawes, F. Gatti and H.-D. Meyer, “Atom-triatom rigid rotor
inelastic scattering with the MultiConfiguration Time Dependent Hartree approach”, Chem ; Phys. Let. 668 (2017) 42.

P94 D. Mendive-Tapia, E. Mangaud, T. Firmino, A. de la Lande, M. Desouter-Lecomte, H.-D. Meyer, F. Gatti,
"Multidimensional Quantum Mechanical Modeling of Electron Transfer and Electronic Coherence in Plant Cryptochromes : The Role of Initial Bath Conditions”, The Journal of Physical Chemistry B 122 (2018) 126.

P95 surfaceAS Muzas, M del Cueto, F Gatti, MF Somers, GJ Kroes, F Martín, C Díaz,
“H 2/LiF (001) diffractive scattering under fast grazing incidence using a DFT-based potential energy surface”,
Physical Review B 96 (2017) 205432.

P96 B Gonon, A Perveaux, F Gatti, D Lauvergnat, B Lasorne,
"On the applicability of a wavefunction-free, energy-based procedure for generating first-order non-adiabatic couplings around conical intersections”,
The Journal of Chemical Physics 147 (2017) 114114.

P97 Z. Zhao, J. Chen, Z. Zhang, D.H. Zhang, X.G. Wang, T. Carrington Jr, F. Gatti ,
"Computing energy levels of CH4, CHD3, CH3D, and CH3F with a direct product basis and coordinates based on the methyl subsystem",
the Journal of chemical physics, 148 (2017), 074113.

P98 D. Zanuttini, F. Gatti, and R. Marquardt, "CO quantum dynamics diffusion on Cu(1 0 0)", Chem. Phys., Volume 509, 15 June 2018, Pages 3-12.

P99 F. Gatti,
"Molecular dynamics simulated by photons",
Nature 557 (2018), 641

P100 SA Ndengue, R Dawes, F Gatti, H Guo,
"Influence of Renner–Teller Coupling between Electronic States on H+ CO Inelastic Scattering",
The Journal of Physical Chemistry A, 122 (2018) 6381.

P101 SA Ndengué, Y Scribano, DM Benoit, F Gatti, R Dawes,
"Intermolecular rovibrational bound states of H2OH2 dimer from a MultiConfiguration Time Dependent Hartree approach",
Chem. Phys. Letters 715 (2019) 347.

P102 Benjamin Gonon, Benjamin Lasorne, Gabriel Karras, Loic Joubert-Doriol, David Lauvergnat, Franck Billard, B. Lavorel, Olivier Faucher, Stephane Guerin, Edouard Hertz, and Fabien Gatti,
"A generalized vibronic-coupling Hamiltonian for molecules without symmetry : Application to the photoisomerization of benzopyran",
J. Chem. Phys.150 (2019) 124109.

P103 Z Zhang, F Gatti, DH Zhang,
"Full dimensional quantum mechanical calculations of the reaction probability of the H + NH3 collision based on a mixed Jacobi and Radau description",
the Journal of chemical physics 150 (2019) 204301.

P104 T Latka, V Shirvanyan, M Ossiander, O Razskazovskaya, A Guggenmos, M Jobst, M Fieß, S Holzner, A Sommer, M Schultze, C Jakubeit, J Riemensberger, B Bernhardt, W Helml, F Gatti, Benjamin Lasorne, D Lauvergnat, P Decleva, GJ Halász, Á Vibók, R Kienberger,
"Femtosecond wave-packet revivals in ozone",
Physical Review A 99 (2019) 063405.

P105 CH Yuen, D Lapierre, F Gatti, V Kokoouline, VG Tyuterev,
"Correction to “The Role of Ozone Vibrational Resonances in the Isotope Exchange Reaction 16O16O + 18O → 16O18O + 16O : The Time-Dependent Picture”,
The Journal of Physical Chemistry A 123 (2019) 7733.

P106 S Ndengué, Y Scribano, F Gatti, R Dawes,
"State-to-state inelastic rotational cross sections in five-atom systems with the multiconfiguration time dependent Hartree method",
The Journal of Chemical Physics 151 (2019) 134301.

P107 D Bossion, S Ndengué, HD Meyer, F Gatti, Y Scribano,
"Theoretical investigation of the H + HD → D + H2 chemical reaction for astrophysical applications : A state-to-state quasi-classical study",
Communication of The Journal of Chemical Physics 153 (2020) 081102.

P108 Z Zhang, F Gatti, DH Zhang,
"Full-dimensional quantum mechanical calculations of the reaction probability of the H + CH4 reaction based on a mixed Jacobi and Radau description",
Communication of The Journal of Chemical Physics 152 (2020) 201101.

P109 X Zhang, Z Zhang, F Gatti, DH Zhang,
"Full-dimensional quantum dynamics study of isotope effects for the H2 + NH2/ND2/NHD and H2/D2/HD + NH2 reactions",
The Journal of Chemical Physics 154 (2021) 074301.

P110 S. Mainali, F. Gatti, D. Louchtchenko, P.-N. Roy and H.-D. Meyer,
"Comparison of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains",
The Journal of Chemical Physics 154 (2021) 174106.

P111 A. Voute, F. Gatti, K. B. Møller and N. E. Henriksen, Hot Article in P.C.C.P.,
"Femtochemistry of bimolecular reactions from weakly bound complexes : computational study of the H+ H′ OD→ H′ OH+ D or HOD+ H′ exchange reactions",
(2021) 23, 27207 - 27226.

P112 S Mandal, F Gatti, O Bindech, R Marquardt, JC Tremblay,
"Multidimensional stochastic dissipative quantum dynamics using a Lindblad operator",
The Journal of Chemical Physics (2022) 156 (9), 094109.

P113 M Schröder, F Gatti, D Lauvergnat, HD Meyer, O Vendrell,
"The coupling of the hydrated proton to its first solvation shell"
Nat. Comm. 13 (2022) 6170.

P114 S Mainali, F Gatti, O Atabek,
"Laser control strategies in full dimensional funneling dynamics : The case of pyrazine"
Chinese Optics Letters 20 (2022) 100007.

P115 S Han, M Schröder, F Gatti, HD Meyer, D Lauvergnat, DR Yarkony, H. Guo,
"Representation of Diabatic Potential Energy Matrices for Multiconfiguration Time-Dependent Hartree Treatments of High-Dimensional Nonadiabatic Photodissociation Dynamics",
Journal of Chemical Theory and Computation 18 (2022) 4627.

P116 Antoine Aerts, Alex Brown, Fabien Gatti,
"Intramolecular vibrational redistribution in formic acid and its deuterated forms",
The Journal of Chemical Physics (2022) 157, 014306.

P117 S Mandal, F Gatti, O Bindech, R Marquardt, JC Tremblay
"Stochastic Multi Configuration Time-Dependent Hartree for Dissipative Quantum Dynamics with Strong Intramolecular Coupling"
The Journal of Chemical Physics 157 (2022) 144105.

P118 Song, Qingfei ; Zhang, Xingyu ; Gatti, Fabien ; Miao, Zekai ; Zhang, Qiuyu ; Meng, Qingyong
"Multi-Layer Multi-Configuration Time-Dependent Hartree Study on the Mode/Bond-Specific Quantum Dynamics of the Water Dissociation on Cu(111)"
The Journal of Physical Chemistry, 126 (2022) 6047–6058.

P119 Nataša Nadoveza, Ramón L Panadés-Barrueta, Lei Shi, Fabien Gatti, Daniel Peláez
"Analytical high-dimensional operators in canonical polyadic finite basis representation (CP-FBR)"
The Journal of Chemical Physics 158 (2023) 114109.

P120 Alexandre Voute, Alexander Dörfler, Laurent Wiesenfeld, Olivier Dulieu, Fabien Gatti, Daniel Peláez, Stefan Willitsch
"Charge transfer of polyatomic molecules in ion-atom hybrid traps : Stereodynamics in the millikelvin regime"
Physical Review Research in press (2023) DOI : 10.1103/PhysRevResearch.00.002000

P121 Ramón Lorenzo Panadés-Barrueta, Nataša Nadoveza, Fabien Gatti, Daniel Peláez
"On the sum-of-products to product-of-sums transformation between analytical low-rank approximations in finite basis representation"
The European Physical Journal Special Topics, in press (2023).

P122 Hervé Tajouo Tela, Ernesto Quintas-Sánchez, Marie-Lise Dubernet, Richard Dawes, Fabien Gatti and Steve Alexandre Ndengue
"Rovibrational states calculations of the H 2 O–HCN heterodimer with the Multiconfiguration Time Dependent Hartree method"
Physical Chemistry Chemical Physics, in press, DOI https://doi.org/10.1039/D3CP03225F

P123 Lei shi, Markus Schroeder, Hans-Dieter Meyer, Daniel Peláez, Alec Wodtke, Kai Golibrzuch, Anna-Maria Schönemann, Alexander Kandratsenka, Fabien Gatti
"Quantum and classical molecular dynamics for H atom scattering from graphene"
The Journal of Chemical Physics "Editor’s peaks" in press (2023).