Proceedings of the workshop stochastic molecular dynamics. NRCC Proceedings No. 6

Conference · Mon Jan 01 04:00:00 EST 1979

OSTI ID:5470809

Ceperley, D; Tully, J ^[1]

---

1. eds.

Twenty papers are included which discuss methods for incorporating effects of surrounding media and for reducing the number of degrees of freedom by means of stochastic elements in molecular dynamics simulations. Many of the critical problems which currently limit the utility of molecular dynamics, stochastic dynamics, and Monte Carlo simulations were examined. Condensed phase processes, polymer motion, surface chemistry, and gas-phase dynamics were explored. (DLC)

• Research Organization: California Univ., Berkeley (USA). Lawrence Berkeley Lab.
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 5470809
• Report Number(s): LBL-9510; CONF-790735-
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400201* -- Chemical & Physicochemical Properties
DIFFERENTIAL EQUATIONS
DOCUMENT TYPES
DYNAMICS
ENERGY LEVELS
ENERGY TRANSFER
EQUATIONS
EXCITED STATES
MECHANICS
MEETINGS
MOLECULES
MONTE CARLO METHOD
POLYMERS
PROCEEDINGS
SIMULATION
STATISTICAL MECHANICS
STOCHASTIC PROCESSES
VIBRATIONAL STATES