charris5's pme [7 articles] Export

Recent papers added to charris5's library classified by the tag pme. You can also see everyone's pme.

	A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters [My Copy] The Journal of Chemical Physics, Vol. 110, No. 6. (1999), pp. 2810-2821. by Glenn J. Martyna, Mark E. Tuckerman posted to qmmm pme by charris5 on 2009-04-17 00:35:08 as along with 1 person softsimu
	A new reciprocal space based treatment of long range interactions on surfaces [My Copy] The Journal of Chemical Physics, Vol. 116, No. 13. (2002), pp. 5351-5362. by Peter Minary, Mark E. Tuckerman, Katianna A. Pihakari, Glenn J. Martyna posted to pme by charris5 on 2009-04-17 00:34:47 as along with 1 person and_ped10
	Gaussian split Ewald: A fast Ewald mesh method for molecular simulation [My Copy] The Journal of Chemical Physics, Vol. 122, No. 5. (2005) by Yibing Shan, John L. Klepeis, Michael P. Eastwood, Ron O. Dror, David E. Shaw posted to pme by charris5 on 2009-04-17 00:34:17 as along with 4 people stephenbond r2s2 sjplimp ruvido
	Is the Ewald summation still necessary? Pairwise alternatives to the accepted standard for long-range electrostatics [My Copy] The Journal of Chemical Physics, Vol. 124, No. 23. (2006) by Christopher J. Fennell, Daniel J. Gezelter posted to pme by charris5 on 2009-04-17 00:32:51 as along with 4 people and 1 group mikaellund OndrejMarsalek michaelbussmann sobolevnrm baker-group
	A smooth particle mesh Ewald method [My Copy] The Journal of Chemical Physics, Vol. 103, No. 19. (1995), pp. 8577-8593. by Ulrich Essmann, Lalith Perera, Max L. Berkowitz, Tom Darden, Hsing Lee, Lee G. Pedersen posted to pme by charris5 on 2009-04-17 00:32:04 as along with 16 people and 2 groups krapnik jmparks rpetrenko A_Coletta_Thesis r2s2 pavanghatty sobolevnrm choonpeng lillekatt and_ped10 easybakemuffin RamuAnandakrishnan ashaytan mikaellund 6rheology jteyra Structural Biology Group TorVergata baker-group
	A dual length scale method for plane-wave-based, simulation studies of chemical systems modeled using mixed ab initio/empirical force field descriptions [My Copy] The Journal of Chemical Physics, Vol. 115, No. 8. (2001), pp. 3531-3539. by Dawn A. Yarne, Mark E. Tuckerman, Glenn J. Martyna posted to qmmm pme by charris5 on 2009-04-17 00:30:27 as
	A fine grained parallel smooth particle mesh Ewald algorithm for biophysical simulation studies: Application to the 6-D torus QCDOC supercomputer [My Copy] Computer Physics Communications, Vol. 177, No. 4. (15 August 2007), pp. 362-377. by B. Fang, G. Martyna, Y. Deng posted to pme by charris5 on 2009-04-17 00:27:40 as

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pme	7
protein-protein-interactions	5
qmmm	4
stat-mech	3
electrostatics	3
amber	3
gpu	2
md	2
mdgpu	1
qmgpu	1
photoproduct	1
vmd	1
sccdftb	1
dna	1
protein-folding	1
poisson-boltzman	1
pka	1
dynamics	1
pes	1
hydrophobic	1
simulation	1
go-model	1
conformational-change	1
energytransfer	1
6-4	1
cyt-c	1
pmf	1
oxetane	1
mesoscale	1
nanma	1
how-tos	1
helicase	1
c	1
thermo	1
qm	1
water	1
photolyase	1
tst	1

charris5's pme [7 articles] Export

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