-
1
-
-
0030904524
-
Novel methods of sampling phase space in the simulation of biological systems
-
Berne, B.J., Straub, J.E.: Novel methods of sampling phase space in the simulation of biological systems. Curr. Topics in Struct. Biol. 7 (1997) 181-189
-
(1997)
Curr. Topics in Struct. Biol.
, vol.7
, pp. 181-189
-
-
Berne, B.J.1
Straub, J.E.2
-
4
-
-
0027641030
-
Hybrid Monte Carlo simulations theory and initial comparison with molecular dynamics
-
Brass, A., Pendleton, B.J., Chen, Y., Robson, B.: Hybrid Monte Carlo simulations theory and initial comparison with molecular dynamics. Biopolymers 33 (1993) 1307-1315
-
(1993)
Biopolymers
, vol.33
, pp. 1307-1315
-
-
Brass, A.1
Pendleton, B.J.2
Chen, Y.3
Robson, B.4
-
7
-
-
4243137056
-
Hybrid Monte Carlo
-
Duane, S., Kennedy, A.D., Pendleton, B.J., Roweth, D.: Hybrid Monte Carlo. Phys. Lett. B 195 (1987) 216-222
-
(1987)
Phys. Lett. B
, vol.195
, pp. 216-222
-
-
Duane, S.1
Kennedy, A.D.2
Pendleton, B.J.3
Roweth, D.4
-
8
-
-
0000093632
-
Global Monte Carlo algorithms for many-fermion systems
-
Creutz, M.: Global Monte Carlo algorithms for many-fermion systems. Phys. Rev. D 38 (1988) 1228-1238
-
(1988)
Phys. Rev. D
, vol.38
, pp. 1228-1238
-
-
Creutz, M.1
-
9
-
-
0007036729
-
Hybrid Monte Carlo method for condensed-matter systems
-
Mehlig, B., Heermann, D.W., Forrest, B.M.: Hybrid Monte Carlo method for condensed-matter systems. Phys. Rev. B 45 (1992) 679-685
-
(1992)
Phys. Rev. B
, vol.45
, pp. 679-685
-
-
Mehlig, B.1
Heermann, D.W.2
Forrest, B.M.3
-
10
-
-
0002581788
-
Higher-order hybrid monte carlo algorithms
-
Creutz, M., Gocksch, A.: Higher-order hybrid monte carlo algorithms. Phys. Rev. Lett. 63 (1989) 9-12
-
(1989)
Phys. Rev. Lett.
, vol.63
, pp. 9-12
-
-
Creutz, M.1
Gocksch, A.2
-
11
-
-
0036345029
-
Practical construction of modified Hamiltonians
-
Skeel, R.D., Hardy, D.J.: Practical construction of modified Hamiltonians. SIAM J. Sci. Comput. 23 (2001) 1172-1188
-
(2001)
SIAM J. Sci. Comput.
, vol.23
, pp. 1172-1188
-
-
Skeel, R.D.1
Hardy, D.J.2
-
12
-
-
0002788636
-
Asymptotic expansions and backward analysis for numerical integrators
-
Dynamics of Algorithms, New York, Springer-Verlag
-
Hairer, E., Lubich, C.: Asymptotic expansions and backward analysis for numerical integrators. In: Dynamics of Algorithms, New York, IMA Vol. Math. Appl 118, Springer-Verlag (2000) 91-106
-
(2000)
IMA Vol. Math. Appl
, vol.118
, pp. 91-106
-
-
Hairer, E.1
Lubich, C.2
-
13
-
-
8344261362
-
PROTOMOL: An object-oriented framework for prototyping novel algorithms for molecular dynamics
-
Submitted
-
Matthey, T., Cickovski, T., Hampton, S., Ko, A., Ma, Q., Slabach, T., Izaguirre, J.A.: PROTOMOL: an object-oriented framework for prototyping novel algorithms for molecular dynamics. Submitted to ACM Trans. Math. Softw. (2003)
-
(2003)
ACM Trans. Math. Softw.
-
-
Matthey, T.1
Cickovski, T.2
Hampton, S.3
Ko, A.4
Ma, Q.5
Slabach, T.6
Izaguirre, J.A.7
-
14
-
-
0030567351
-
Structural fluctuations of a cryptophane host: A molecular dynamics simulation
-
Kirchhoff, P.D., Bass, M.B., Hanks, B.A., Briggs, J., Collet, A., McCammon, J.A.: Structural fluctuations of a cryptophane host: A molecular dynamics simulation. J. Am. Chem. Soc. 118 (1996) 3237-3246
-
(1996)
J. Am. Chem. Soc.
, vol.118
, pp. 3237-3246
-
-
Kirchhoff, P.D.1
Bass, M.B.2
Hanks, B.A.3
Briggs, J.4
Collet, A.5
McCammon, J.A.6
-
15
-
-
35048875803
-
-
Master's thesis, University of Notre Dame, Notre Dame, Indiana, USA
-
Hampton, S.: Improved sampling of configuration space of biomolecules using shadow hybrid monte carlo. Master's thesis, University of Notre Dame, Notre Dame, Indiana, USA (2004)
-
(2004)
Improved Sampling of Configuration Space of Biomolecules Using Shadow Hybrid Monte Carlo
-
-
Hampton, S.1
-
16
-
-
0000088731
-
An improved acceptance procedure for the hybrid Monte Carlo algorithm
-
Neal, R.M.: An improved acceptance procedure for the hybrid Monte Carlo algorithm. J. Comput. Phys. 111 (1994) 194-203
-
(1994)
J. Comput. Phys.
, vol.111
, pp. 194-203
-
-
Neal, R.M.1
-
17
-
-
0019539240
-
A perspective on the use of control variables to increase the efficiency of monte carlo simulations
-
Lavenberg, S.S., Welch, P.D.: A perspective on the use of control variables to increase the efficiency of monte carlo simulations. Management Science 27 (1981) 322-335
-
(1981)
Management Science
, vol.27
, pp. 322-335
-
-
Lavenberg, S.S.1
Welch, P.D.2
-
18
-
-
0000573002
-
A direct approach to conformational dynamics based on hybrid Monte Carlo
-
Schüette, C., Fischer, A., Huisinga, W., Deuflhard, P.: A direct approach to conformational dynamics based on hybrid Monte Carlo. J. Comput. Phys 151 (1999) 146-168
-
(1999)
J. Comput. Phys
, vol.151
, pp. 146-168
-
-
Schüette, C.1
Fischer, A.2
Huisinga, W.3
Deuflhard, P.4
-
19
-
-
0003767327
-
-
Technical report, Konrad-Zuse-Zentrum für Informationstechnik Berlin SC 99-18
-
Schüette, C.: Conformational dynamics: Modelling, theory, algorithm, and application to biomolecules. Technical report, Konrad-Zuse-Zentrum für Informationstechnik Berlin (1999) SC 99-18.
-
(1999)
Conformational Dynamics: Modelling, Theory, Algorithm, and Application to Biomolecules
-
-
Schüette, C.1
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