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Glenn J Martyna - Publications

Affiliations: 
IBM Thomas J. Watson Research Center, Yorktown Heights, NY, United States 
Website:
https://www.nscj.co.uk/ecm4/sessions/GlennJMartyna.pdf
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50 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2020 Kim M, Martyna GJ, Ismail-Beigi S. Complex-time shredded propagator method for large-scale GW calculations Physical Review B. 101. DOI: 10.1103/Physrevb.101.035139  0.304
2013 Jones AP, Crain J, Sokhan VP, Whitfield TW, Martyna GJ. Quantum Drude oscillator model of atoms and molecules: Many-body polarization and dispersion interactions for atomistic simulation Physical Review B - Condensed Matter and Materials Physics. 87. DOI: 10.1103/Physrevb.87.144103  0.306
2010 Yu TQ, Alejandre J, López-Rendón R, Martyna GJ, Tuckerman ME. Measure-preserving integrators for molecular dynamics in the isothermal-isobaric ensemble derived from the Liouville operator Chemical Physics. 370: 294-305. DOI: 10.1016/J.Chemphys.2010.02.014  0.544
2008 Bohm E, Bhatele A, Kalé LV, Tuckerman ME, Kumar S, Gunnels JA, Martyna GJ. Fine-grained parallelization of the Car-Parrinello ab initio molecular dynamics method on the IBM Blue Gene/L supercomputer Ibm Journal of Research and Development. 52: 159-176. DOI: 10.1147/Rd.521.0159  0.567
2007 Minary P, Tuckerman ME, Martyna GJ. Dynamical spatial warping: A novel method for the conformational sampling of biophysical structure Siam Journal On Scientific Computing. 30: 2055-2083. DOI: 10.1137/070686706  0.55
2007 Han G, Deng Y, Glimm J, Martyna G. Error and timing analysis of multiple time-step integration methods for molecular dynamics Computer Physics Communications. 176: 271-291. DOI: 10.1016/J.Cpc.2006.10.005  0.328
2006 Tuckerman ME, Alejandre J, López-Rendón R, Jochim AL, Martyna GJ. A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal-isobaric ensemble Journal of Physics a: Mathematical and General. 39: 5629-5651. DOI: 10.1088/0305-4470/39/19/S18  0.573
2006 Abrams JB, Tuckerman ME, Martyna GJ. Equilibrium statistical mechanics, non-hamiltonian molecular dynamics, and novel applications from resonance-free timesteps to adiabatic free energy dynamics Lecture Notes in Physics. 703: 139-192. DOI: 10.1007/3-540-35273-2_5  0.548
2005 Lee HS, Tuckerman ME, Martyna GJ. Efficient evaluation of nonlocal pseudopotentials via Euler exponential spline interpolation. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry. 6: 1827-35. PMID 16144012 DOI: 10.1002/Cphc.200500123  0.551
2005 Lee HS, Tuckerman ME, Martyna GJ. Efficient evaluation of nonlocal pseudopotentials via euler exponential spline interpolation Chemphyschem. 6: 1827-1835. DOI: 10.1002/cphc.200500123  0.434
2004 Mináry P, Morrone JA, Yarne DA, Tuckerman ME, Martyna GJ. Long range interactions on wires: a reciprocal space based formalism. The Journal of Chemical Physics. 121: 11949-56. PMID 15634157 DOI: 10.1063/1.1806403  0.539
2004 Minary P, Tuckerman ME, Martyna GJ. Long time molecular dynamics for enhanced conformational sampling in biomolecular systems Physical Review Letters. 93: 150201-1-150201-4. PMID 15524853 DOI: 10.1103/Physrevlett.93.150201  0.584
2004 Vadali RV, Shi Y, Kumar S, Kale LV, Tuckerman ME, Martyna GJ. Scalable fine-grained parallelization of plane-wave-based ab initio molecular dynamics for large supercomputers. Journal of Computational Chemistry. 25: 2006-22. PMID 15473008 DOI: 10.1002/jcc.20113  0.623
2004 Mináry P, Morrone JA, Yame DA, Tuckerman ME, Martyna GJ. Long range interactions on wires: A reciprocal space based formalism Journal of Chemical Physics. 121: 11949-11956. DOI: 10.1063/1.1806403  0.459
2004 Vadali RV, Shi Y, Kumar S, Kale LV, Tuckerman ME, Martyna GJ. Scalable fine-grained parallelization of plane-wave-based ab initio molecular dynamics for large supercomputers Journal of Computational Chemistry. 25: 2006-2022. DOI: 10.1002/jcc.20113  0.517
2003 Minary P, Martyna GJ, Tuckerman ME. Algorithms and novel applications based on the isokinetic ensemble. II. Ab initio molecular dynamics Journal of Chemical Physics. 118: 2527-2538. DOI: 10.1063/1.1534583  0.611
2003 Minary P, Martyna GJ, Tuckerman ME. Algorithms and novel applications based on the isokinetic ensemble. I. Biophysical and path integral molecular dynamics Journal of Chemical Physics. 118: 2510-2526. DOI: 10.1063/1.1534582  0.604
2002 Zhu Z, Tuckerman ME, Samuelson SO, Martyna GJ. Using novel variable transformations to enhance conformational sampling in molecular dynamics Physical Review Letters. 88: 1002011-1002014. PMID 11909330 DOI: 10.1103/Physrevlett.88.100201  0.529
2002 Miller TF, Eleftheriou M, Pattnaik P, Ndirango A, Newns D, Martyna GJ. Symplectic quaternion scheme for biophysical molecular dynamics Journal of Chemical Physics. 116: 8649-8659. DOI: 10.1063/1.1473654  0.389
2002 Mináry P, Tuckerman ME, Pihakari KA, Martyna GJ. A new reciprocal space based treatment of long range interactions on surfaces Journal of Chemical Physics. 116: 5351-5362. DOI: 10.1063/1.1453397  0.493
2001 Allen F, Almasi G, Andreoni W, Beece D, Berne BJ, Bright A, Brunheroto J, Cascaval C, Castanos J, Coteus P, Crumley P, Curioni A, Denneau M, Donath W, Eleftheriou M, ... ... Martyna G, et al. Blue Gene: A vision for protein science using a petaflop supercomputer Ibm Systems Journal. 40: 310-327. DOI: 10.1147/sj.402.0310  0.499
2001 Yarne DA, Tuckerman ME, Martyna GJ. A dual length scale method for plane-wave-based, simulation studies of chemical systems modeled using mixed ab initio/empirical force field descriptions Journal of Chemical Physics. 115: 3531-3539. DOI: 10.1063/1.1383795  0.542
2001 Tuckerman ME, Liu Y, Ciccotti G, Martyna GJ. Non-Hamiltonian molecular dynamics: Generalizing Hamiltonian phase space principles to non-Hamiltonian systems Journal of Chemical Physics. 115: 1678-1702. DOI: 10.1063/1.1378321  0.562
2001 Ciccotti G, Martyna GJ, Melchionna S, Tuckerman ME. Constrained isothermal-isobaric molecular dynamics with full atomic virial Journal of Physical Chemistry B. 105: 6710-6715. DOI: 10.1021/Jp010601S  0.538
2000 Balog E, Hughes AL, Martyna GJ. Constant pressure path integral molecular dynamics studies of quantum effects in the liquid state properties of n-alkanes Journal of Chemical Physics. 112: 870-880. DOI: 10.1063/1.480614  0.309
2000 Tuckerman ME, Martyna GJ. Understanding Modern Molecular Dynamics: Techniques and Applications Journal of Physical Chemistry B. 104: 159-178. DOI: 10.1021/Jp992433Y  0.608
2000 Tuckerman ME, Yarne DA, Samuelson SO, Hughes AL, Martyna GJ. Exploiting multiple levels of parallelism in molecular dynamics based calculations via modern techniques and software paradigms on distributed memory computers Computer Physics Communications. 128: 333-376. DOI: 10.1016/S0010-4655(00)00077-1  0.58
2000 Mundy CJ, Balasubramanian S, Bagchi K, Tuckerman ME, Martyna GJ, Klein ML. Nonequilibrium molecular dynamics Reviews in Computational Chemistry. 14: 291-397. DOI: 10.1002/9780470125915.Ch5  0.556
1999 Tuckerman ME, Mundy CJ, Martyna GJ. On the classical statistical mechanics of non-Hamiltonian systems Europhysics Letters. 45: 149-155. DOI: 10.1209/Epl/I1999-00139-0  0.495
1999 Tuckerman ME, Martyna GJ. Erratum: “Comment on ‘Simple reversible molecular dynamics algorithms for Nosé–Hoover chain dynamics’ ” [J. Chem. Phys. 110, 3623 (1999)] Journal of Chemical Physics. 111: 3313-3313. DOI: 10.1063/1.479612  0.544
1999 Diraison M, Martyna GJ, Tuckerman ME. Simulation studies of liquid ammonia by classical ab initio, classical, and path-integral molecular dynamics Journal of Chemical Physics. 111: 1096-1103. DOI: 10.1063/1.479194  0.582
1999 Tuckerman ME, Martyna GJ. Comment on “Simple reversible molecular dynamics algorithms for Nosé–Hoover chain dynamics” [J. Chem. Phys. 107, 9514 (1997)] Journal of Chemical Physics. 110: 3623-3625. DOI: 10.1063/1.478231  0.587
1999 Martyna GJ, Hughes A, Tuckerman ME. Molecular dynamics algorithms for path integrals at constant pressure Journal of Chemical Physics. 110: 3275-3290. DOI: 10.1063/1.478193  0.603
1999 Martyna GJ, Tuckerman ME. A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters Journal of Chemical Physics. 110: 2810-2821. DOI: 10.1063/1.477923  0.52
1999 Marx D, Tuckerman ME, Martyna GJ. Quantum dynamics via adiabatic ab initio centroid molecular dynamics Computer Physics Communications. 118: 166-184. DOI: 10.1016/S0010-4655(99)00208-8  0.612
1998 Procacci P, Marchi M, Martyna GJ. Electrostatic calculations and multiple time scales in molecular dynamics simulation of flexible molecular systems Journal of Chemical Physics. 108: 8799-8803. DOI: 10.1063/1.476326  0.336
1996 Martyna GJ, Tuckerman ME, Tobias DJ, Klein ML. Explicit reversible integrators for extended systems dynamics Molecular Physics. 87: 1117-1157. DOI: 10.1080/00268979600100761  0.582
1996 Cao J, Martyna GJ. Adiabatic path integral molecular dynamics methods. II. Algorithms The Journal of Chemical Physics. 104: 2028-2035. DOI: 10.1063/1.470959  0.619
1995 Martyna GJ, Tuckerman ME. Symplectic reversible integrators: Predictor-corrector methods The Journal of Chemical Physics. 102: 8071-8077. DOI: 10.1063/1.469006  0.505
1993 Tuckerman M, Berne BJ, Martyna GJ. Reply to Comment on: Reversible multiple time scale molecular dynamics Journal of Chemical Physics. 99: 2278-2279. DOI: 10.1063/1.465242  0.638
1993 Tuckerman ME, Berne BJ, Martyna GJ, Klein ML. Efficient molecular dynamics and hybrid Monte Carlo algorithms for path integrals The Journal of Chemical Physics. 99: 2796-2808. DOI: 10.1063/1.465188  0.682
1993 Tobias DJ, Martyna GJ, Klein ML. Molecular dynamics simulations of a protein in the canonical ensemble Journal of Physical Chemistry. 97: 12959-12966. DOI: 10.1021/J100151A052  0.304
1992 Martyna GJ, Klein ML, Tuckerman M. Nosé–Hoover chains: The canonical ensemble via continuous dynamics The Journal of Chemical Physics. 97: 2635-2643. DOI: 10.1063/1.463940  0.517
1992 Space B, Coker DF, Liu ZH, Berne BJ, Martyna G. Density dependence of excess electronic ground-state energies in simple atomic fluids The Journal of Chemical Physics. 97: 2002-2021. DOI: 10.1063/1.463138  0.628
1992 Tuckerman M, Berne BJ, Martyna GJ. Reversible multiple time scale molecular dynamics The Journal of Chemical Physics. 97: 1990-2001. DOI: 10.1063/1.463137  0.685
1991 Tuckerman ME, Berne BJ, Martyna GJ. Molecular dynamics algorithm for multiple time scales: Systems with long range forces The Journal of Chemical Physics. 94: 6811-6815. DOI: 10.1063/1.460259  0.657
1990 Tuckerman ME, Martyna GJ, Berne BJ. Molecular dynamics algorithm for condensed systems with multiple time scales The Journal of Chemical Physics. 93: 1287-1291. DOI: 10.1063/1.459140  0.653
1989 Martyna GJ, Berne BJ. Structure and energetics of Xe−n : Many‐body polarization effects The Journal of Chemical Physics. 90: 3744-3755. DOI: 10.1063/1.455833  0.431
1988 Martyna GJ, Berne BJ. Structure and energetics of Xe−n The Journal of Chemical Physics. 88: 4516-4525. DOI: 10.1063/1.453759  0.412
1988 Wallqvist A, Martyna G, Berne BJ. Behavior of the hydrated electron at different temperatures: structure and absorption spectrum The Journal of Physical Chemistry. 92: 1721-1730. DOI: 10.1021/J100318A006  0.462
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