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Results: 1-25/34
Authors:
Xu, HF
Berne, BJ
Citation: Hf. Xu et Bj. Berne, Hydrogen-bond kinetics in the solvation shell of a polypeptide, J PHYS CH B, 105(48), 2001, pp. 11929-11932
Authors:
Lee, YH
Berne, BJ
Citation: Yh. Lee et Bj. Berne, Quantum thermal annealing with renormalization: Application to a frustrated model protein, J PHYS CH A, 105(2), 2001, pp. 459-464
Authors:
Sim, E
Krilov, G
Berne, BJ
Citation: E. Sim et al., Quantum rate constants from short-time dynamics: An analytic continuation approach, J PHYS CH A, 105(12), 2001, pp. 2824-2833
Authors:
Krilov, G
Sim, E
Berne, BJ
Citation: G. Krilov et al., On the Bayesian approach to calculating time correlation functions in quantum systems; reaction dynamics and spectroscopy, CHEM PHYS, 268(1-3), 2001, pp. 21-34
Authors:
Stern, HA
Rittner, F
Berne, BJ
Friesner, RA
Citation: Ha. Stern et al., Combined fluctuating charge and polarizable dipole models: Application to a five-site water potential function, J CHEM PHYS, 115(5), 2001, pp. 2237-2251
Authors:
Zhou, RH
Harder, E
Xu, HF
Berne, BJ
Citation: Rh. Zhou et al., Efficient multiple time step method for use with Ewald and particle mesh Ewald for large biomolecular systems, J CHEM PHYS, 115(5), 2001, pp. 2348-2358
Authors:
Stern, HA
Berne, BJ
Citation: Ha. Stern et Bj. Berne, Quantum effects in liquid water: Path-integral simulations of a flexible and polarizable ab initio model, J CHEM PHYS, 115(16), 2001, pp. 7622-7628
Authors:
Hetenyi, B
Berne, BJ
Citation: B. Hetenyi et Bj. Berne, Ground state of the quantum anisotropic planar rotor model: A finite size scaling study of the orientational order-disorder phase transition, J CHEM PHYS, 114(8), 2001, pp. 3674-3682
Authors:
Krilov, G
Sim, E
Berne, BJ
Citation: G. Krilov et al., Quantum time correlation functions from complex time Monte Carlo simulations: A maximum entropy approach, J CHEM PHYS, 114(3), 2001, pp. 1075-1088
Authors:
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
Fitch, B
Fleischer, B
Georgiou, CJ
Germain, R
Giampapa, M
Gresh, D
Gupta, M
Haring, R
Ho, H
Hochschild, P
Hummel, S
Jonas, T
Lieber, D
Martyna, G
Maturu, K
Moreira, J
Newns, D
Newton, M
Philhower, R
Picunko, T
Pitera, J
Pitman, M
Rand, R
Royyuru, A
Salapura, V
Sanomiya, A
Shah, R
Sham, Y
Singh, S
Snir, M
Suits, F
Swetz, R
Swope, WC
Vishnumurthy, N
Ward, TJC
Warren, H
Zhou, R
Citation: F. Allen et al., Blue Gene: A vision for protein science using a petaflop supercomputer, IBM SYST J, 40(2), 2001, pp. 310-327
Authors:
Lee, YA
Berne, BJ
Citation: Ya. Lee et Bj. Berne, A renormalization approach to quantum thermal annealing, ANN PHYSIK, 9(9-10), 2000, pp. 668-678
Authors:
Berne, BJ
Citation: Bj. Berne, Perspective on "Statistical mechanics of isomerization dynamics in liquidsand the transition state approximation" - Chandler D (1978) J Chem Phys 68 : 2959, THEOR CH AC, 103(3-4), 2000, pp. 335-336
Authors:
Lee, YH
Berne, BJ
Citation: Yh. Lee et Bj. Berne, Global optimization: Quantum thermal annealing with path integral Monte Carlo, J PHYS CH A, 104(1), 2000, pp. 86-95
Authors:
Rabani, E
Gezelter, JD
Berne, BJ
Citation: E. Rabani et al., Comment on "Direct observation of stretched-exponential relaxation in low-temperature Lennard-Jones systems using the cage correlation function" - Rabani, Gezelter, and Berne reply, PHYS REV L, 85(2), 2000, pp. 467-467
Authors:
Stolovitzky, G
Berne, BJ
Citation: G. Stolovitzky et Bj. Berne, Catalytic tempering: A method for sampling rough energy landscapes by Monte Carlo, P NAS US, 97(21), 2000, pp. 11164-11169
Authors:
Rabani, E
Krilov, G
Berne, BJ
Citation: E. Rabani et al., Quantum mechanical canonical rate theory: A new approach based on the reactive flux and numerical analytic continuation methods, J CHEM PHYS, 112(6), 2000, pp. 2605-2614
Authors:
Xu, HF
Berne, BJ
Citation: Hf. Xu et Bj. Berne, Multicanonical jump walk annealing: An efficient method for geometric optimization, J CHEM PHYS, 112(6), 2000, pp. 2701-2708
Authors:
Egorov, SA
Rabani, E
Berne, BJ
Citation: Sa. Egorov et al., On the adequacy of mixed quantum-classical dynamics in condensed phase systems, J PHYS CH B, 103(50), 1999, pp. 10978-10991
Authors:
Stern, HA
Kaminski, GA
Banks, JL
Zhou, RH
Berne, BJ
Friesner, RA
Citation: Ha. Stern et al., Fluctuating charge, polarizable dipole, and combined models: Parameterization from ab initio quantum chemistry, J PHYS CH B, 103(22), 1999, pp. 4730-4737
Authors:
Stuart, SJ
Berne, BJ
Citation: Sj. Stuart et Bj. Berne, Surface curvature effects in the aqueous ionic solvation of the chloride ion, J PHYS CH A, 103(49), 1999, pp. 10300-10307
Authors:
Rabani, E
Egorov, SA
Berne, BJ
Citation: E. Rabani et al., Classical approximation to nonradiative electronic relaxation in condensedphase systems, J PHYS CH A, 103(47), 1999, pp. 9539-9544
Authors:
Rabani, E
Egorov, SA
Berne, BJ
Citation: E. Rabani et al., Classical approximation to nonradiative electronic relaxation in condensedphase systems (vol 103, pg 9539, 1999), J PHYS CH A, 103(47), 1999, pp. 9564-9564
Authors:
Rabani, E
Berne, BJ
Citation: E. Rabani et Bj. Berne, Energy dissipation in nonlinear systems coupled to a bath: On the use of perturbative maps, J PHYS CH A, 102(47), 1999, pp. 9380-9389
Authors:
Hetenyi, B
Muser, MH
Berne, BJ
Citation: B. Hetenyi et al., Second-order reentrant phase transition in the quantum anisotropic planar rotor model, PHYS REV L, 83(22), 1999, pp. 4606-4609
Authors:
Rabani, E
Gezelter, JD
Berne, BJ
Citation: E. Rabani et al., Direct observation of stretched-exponential relaxation in low-temperature Lennard-Jones systems using the cage correlation function, PHYS REV L, 82(18), 1999, pp. 3649-3652