| Differences in the Vibrational Dynamics of H2O and D2O: Observation of Symmetric and Antisymmetric Stretching Vibrations in Heavy Water L De Marco, W Carpenter, H Liu, R Biswas, JM Bowman, A Tokmakoff The Journal of Physical Chemistry Letters 7 (10), 1769-1774, 2016 | 105 | 2016 |
| Communication: On the consistency of approximate quantum dynamics simulation methods for vibrational spectra in the condensed phase M Rossi, H Liu, F Paesani, J Bowman, M Ceriotti The Journal of chemical physics 141 (18), 2014 | 95 | 2014 |
| Quantum calculations of the IR spectrum of liquid water using ab initio and model potential and dipole moment surfaces and comparison with experiment H Liu, Y Wang, JM Bowman The Journal of chemical physics 142 (19), 2015 | 59 | 2015 |
| Quantum calculations of intramolecular IR spectra of ice models using ab initio potential and dipole moment surfaces H Liu, Y Wang, JM Bowman The journal of physical chemistry letters 3 (24), 3671-3676, 2012 | 42 | 2012 |
| Transferable ab initio dipole moment for water: three applications to bulk water H Liu, Y Wang, JM Bowman The Journal of Physical Chemistry B 120 (8), 1735-1742, 2016 | 38 | 2016 |
| Quantum Local Monomer IR Spectrum of Liquid D2O at 300 K from 0 to 4000 cm–1 Is in Near-Quantitative Agreement with Experiment H Liu, Y Wang, JM Bowman The Journal of Physical Chemistry B 120 (10), 2824-2828, 2016 | 32 | 2016 |
| Ab initio quantum approaches to the IR spectroscopy of water and hydrates JM Bowman, Y Wang, H Liu, JS Mancini The Journal of Physical Chemistry Letters 6 (3), 366-373, 2015 | 31 | 2015 |
| Ab initio deconstruction of the vibrational relaxation pathways of dilute HOD in ice Ih H Liu, Y Wang, JM Bowman Journal of the American Chemical Society 136 (16), 5888-5891, 2014 | 28 | 2014 |
| Vibrational Analysis of an Ice Ih Model from 0 to 4000 cm–1 Using the Ab Initio WHBB Potential Energy Surface H Liu, Y Wang, JM Bowman The Journal of Physical Chemistry B 117 (34), 10046-10052, 2013 | 26 | 2013 |
| Local-Monomer Calculations of the Intramolecular IR Spectra of the Cage and Prism Isomers of HOD(D2O)5 and HOD and D2O Ice Ih H Liu, Y Wang, JM Bowman The Journal of Physical Chemistry B 118 (49), 14124-14131, 2014 | 25 | 2014 |
| An Introduction to Machine Learning in Molecular Sciences H Liu, C Qu Machine Learning in Molecular Sciences, 1-19, 2023 | 1 | 2023 |
| On the Consistency of Approximate Quantum Dynamics Simulation Methods for Vibrational Spectra in the Condensed Phase M Rossi, H Liu, F Paesani, J Bowman, M Ceriotti | | |
