| Constant pressure molecular dynamics algorithms GJ Martyna, DJ Tobias, ML Klein The Journal of chemical physics 101 (5), 4177-4189, 1994 | 4421 | 1994 |
| Nosé–Hoover chains: The canonical ensemble via continuous dynamics GJ Martyna, ML Klein, M Tuckerman The Journal of chemical physics 97 (4), 2635-2643, 1992 | 4169 | 1992 |
| Reversible multiple time scale molecular dynamics M Tuckerman, BJ Berne, GJ Martyna The Journal of chemical physics 97 (3), 1990-2001, 1992 | 3760 | 1992 |
| Explicit reversible integrators for extended systems dynamics GJ Martyna, ME Tuckerman, DJ Tobias, ML Klein Molecular Physics 87 (5), 1117-1157, 1996 | 1920 | 1996 |
| A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters GJ Martyna, ME Tuckerman The Journal of chemical physics 110 (6), 2810-2821, 1999 | 690 | 1999 |
| Efficient molecular dynamics and hybrid Monte Carlo algorithms for path integrals ME Tuckerman, BJ Berne, GJ Martyna, ML Klein The Journal of Chemical Physics 99 (4), 2796-2808, 1993 | 522 | 1993 |
| A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble ME Tuckerman, J Alejandre, R López-Rendón, AL Jochim, GJ Martyna Journal of Physics A: Mathematical and General 39 (19), 5629, 2006 | 509 | 2006 |
| Understanding modern molecular dynamics: Techniques and applications ME Tuckerman, GJ Martyna The Journal of Physical Chemistry B 104 (2), 159-178, 2000 | 483 | 2000 |
| Chemical doping of large-area stacked graphene films for use as transparent, conducting electrodes A Kasry, MA Kuroda, GJ Martyna, GS Tulevski, AA Bol ACS nano 4 (7), 3839-3844, 2010 | 378 | 2010 |
| Non-Hamiltonian molecular dynamics: Generalizing Hamiltonian phase space principles to non-Hamiltonian systems ME Tuckerman, Y Liu, G Ciccotti, GJ Martyna The Journal of Chemical Physics 115 (4), 1678-1702, 2001 | 358 | 2001 |
| Blue Gene: A vision for protein science using a petaflop supercomputer F Allen, G Almasi, W Andreoni, D Beece, BJ Berne, A Bright, J Brunheroto, ... IBM systems journal 40 (2), 310-327, 2001 | 349 | 2001 |
| Molecular dynamics algorithm for multiple time scales: Systems with long range forces ME Tuckerman, BJ Berne, GJ Martyna The Journal of chemical physics 94 (10), 6811-6815, 1991 | 292 | 1991 |
| Symplectic quaternion scheme for biophysical molecular dynamics TF Miller Iii, M Eleftheriou, P Pattnaik, A Ndirango, D Newns, GJ Martyna The Journal of chemical physics 116 (20), 8649-8659, 2002 | 276 | 2002 |
| Exploiting multiple levels of parallelism in molecular dynamics based calculations via modern techniques and software paradigms on distributed memory computers ME Tuckerman, DA Yarne, SO Samuelson, AL Hughes, GJ Martyna Computer Physics Communications 128 (1-2), 333-376, 2000 | 236 | 2000 |
| Molecular dynamics algorithms for path integrals at constant pressure GJ Martyna, A Hughes, ME Tuckerman The Journal of chemical physics 110 (7), 3275-3290, 1999 | 208 | 1999 |
| On the classical statistical mechanics of non-Hamiltonian systems ME Tuckerman, CJ Mundy, GJ Martyna EPL (Europhysics Letters) 45 (2), 149, 1999 | 197 | 1999 |
| Base-by-base ratcheting of single stranded DNA through a solid-state nanopore B Luan, H Peng, S Polonsky, S Rossnagel, G Stolovitzky, G Martyna Physical review letters 104 (23), 238103, 2010 | 186 | 2010 |
| Molecular dynamics algorithm for condensed systems with multiple time scales ME Tuckerman, GJ Martyna, BJ Berne The Journal of chemical physics 93 (2), 1287-1291, 1990 | 170 | 1990 |
| Behavior of the hydrated electron at different temperatures: structure and absorption spectrum A Wallqvist, G Martyna, BJ Berne The Journal of Physical Chemistry 92 (7), 1721-1730, 1988 | 167 | 1988 |
| Molecular dynamics simulations of a protein in the canonical ensemble DJ Tobias, GJ Martyna, ML Klein The Journal of Physical Chemistry 97 (49), 12959-12966, 1993 | 162 | 1993 |
Dennis NewnsPimpernel Science, Software and Information technologyEmail verificata su pimpernelllc.com
