A New Relatively Simple Approach to Multipole Interactions in Either Spherical Harmonics or Cartesians, Suitable for Implementation into Ewald Sums von Burnham, Christian J., English, Niall J.

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Intra-Cage Structure, Vibrations and Tetrahedral-Site Hopping of H2 and D2 in Doubly-Occupied 51264 Cages in sII Clathrate Hydrates from Path-Integral and Classical Molecular Dynam... von English, Niall J., Burnham, Christian J.

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Anomalously soft dynamics of water in a nanotube: A revelation of nanoscale confinement von KOLESNIKOV, Alexander I, ZANOTTI, Jean-Marc, LOONG, Chun-Keung, THIYAGARAJAN, Pappannan, MORAVSKY, Alexander P, LOUTFY, Raouf O, BURNHAM, Christian J

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Molecular Dynamics Simulation of Ionic Liquids:  The Effect of Electronic Polarizability von Yan, Tianying, Burnham, Christian J, Del Pópolo, Mario G, Voth, Gregory A

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Human Aquaporin 4 Gating Dynamics under Perpendicularly-Oriented Electric-Field Impulses: A Molecular Dynamics Study von Marracino, Paolo, Liberti, Micaela, Trapani, Erika, Burnham, Christian J, Avena, Massimiliano, Garate, José-Antonio, Apollonio, Francesca, English, Niall J

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The properties of ion-water clusters. I. The protonated 21-water cluster von Iyengar, Srinivasan S., Petersen, Matt K., Day, Tyler J. F., Burnham, Christian J., Teige, Virginia E., Voth, Gregory A.

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Hydrogen Intramolecular Stretch Redshift in the Electrostatic Environment of Type II Clathrate Hydrates from Schrodinger Equation Treatment von Burnham, Christian J., Futera, Zdenek, Bacic, Zlatko, English, Niall J.

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Stability-Ranking of Crystalline Ice Polymorphs Using Density-Functional Theory von Samanta, Pralok K., Burnham, Christian J., English, Niall J.

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Transprotein-Electropore Characterization: A Molecular Dynamics Investigation on Human AQP4 von Marracino, Paolo, Bernardi, Mario, Liberti, Micaela, Del Signore, Federico, Trapani, Erika, Gárate, José-Antonio, Burnham, Christian J, Apollonio, Francesca, English, Niall J

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Study of hydrogen-molecule guests in type II clathrate hydrates using a force-matched potential model parameterised from ab initio molecular dynamics von Burnham, Christian J., Futera, Zdenek, English, Niall J.

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Quantum and classical inter-cage hopping of hydrogen molecules in clathrate hydrate: temperature and cage-occupation effects von Burnham, Christian J, Futera, Zdenek, English, Niall J

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Crystal Structure Prediction via Basin-Hopping Global Optimization Employing Tiny Periodic Simulation Cells, with Application to Water–Ice von Burnham, Christian J, English, Niall J

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Study of clathrate hydrates via equilibrium molecular-dynamics simulation employing polarisable and non-polarisable, rigid and flexible water models von Burnham, Christian J., English, Niall J.

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Electro-nucleation of water nano-droplets in No Man's Land to fault-free ice Ic von Nandi, Prithwish K, Burnham, Christian J, English, Niall J

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Electropumping of Water Through Human Aquaporin 4 by Circularly Polarized Electric Fields: Dramatic Enhancement and Control Revealed by Non-Equilibrium Molecular Dynamics von Burnham, Christian J, English, Niall J

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Vibrational Modes of Hydrogen Hydrates: A First-Principles Molecular Dynamics and Raman Spectra Study von Futera, Zdenek, Celli, Milva, del Rosso, Leonardo, Burnham, Christian J, Ulivi, Lorenzo, English, Niall J

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Communication: Librational dynamics in water, sI and sII clathrate hydrates, and ice Ih: Molecular-dynamics insights von Burnham, Christian J., English, Niall J.

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Electro-suppression of water nano-droplets’ solidification in no man’s land: Electromagnetic fields’ entropic trapping of supercooled water von Nandi, Prithwish K., Burnham, Christian J., English, Niall J.

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Effective force fields for condensed phase systems from ab initio molecular dynamics simulation: a new method for force-matching von Izvekov, Sergei, Parrinello, Michele, Burnham, Christian J, Voth, Gregory A

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Does Local Structure Bias How a Crystal Nucleus Evolves? von Hall, Kyle Wm, Zhang, Zhengcai, Burnham, Christian J, Guo, Guang-Jun, Carpendale, Sheelagh, English, Niall J, Kusalik, Peter G

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