Sandia National Labs banner SNL Privacy and Security

Index of extended abstracts, organized alphabetically by first author's last name, from:

Computation of Rates of Activated Processes

Symposium K of the Fall 1998 MRS meeting, Boston, Nov. 30-Dec. 2, 1998,

 

Tapio Ala-Nissila, NUMERICAL EVALUATION OF DIFFUSION COEFFICIENTS FOR STRONGLY INTERACTING SYSTEMS

 

Ali Alavi , Peijun Hu, CO OXIDATION ON Pt(111): AN AB INITIO DENSITY FUNCTIONAL THEORY STUDY

 

Scott M. Auerbach, KINETIC THEORY AND TRANSITION STATE SIMULATION OF DYNAMICS IN NANOPOROUS MATERIALS

 

S.V. Beiden and B.R. Cooper, MODELING OF INTERDIFFUSION OF PLUTONIUM AND OTHER METALS

 

Noam Bernstein, Michael J. Aziz, Efthimios Kaxiras, SIMULATIONS OF SOLID PHASE EPITAXIAL GROWTH IN SILICON

 

Emily A. Carter, SURFACE REACTION KINETICS FROM FIRST PRINCIPLES

 

D. Chandler, Peter Bolhuis and Christoph Dellago, FINDING TRANSITION PATHWAYS, THROWING ROPES OVER ROUGH MOUNTAIN PASSES, IN THE DARK

 

L. Y. Chen, S. C. Ying, EVALUATION OF JUMP RATES AND JUMP DISTANCES VIA PATH INTEGRAL FORMALISM

 

D.J. Doren, J.S. Hess, J.A. Barriocanal, A.C. Foraker, R. Konecny, PRINCIPLES OF CHEMISTRY ON THE Si(100) SURFACE FROM FIRST-PRINCIPLES CALCULATIONS

 

R. Du, A. Grosberg, and T. Tanaka, COEXISTENCE OF NATIVE AND DENATURED PHASES IN A SINGLE PROTEIN CHAIN

 

Timothy C. Germann and Arthur F. Voter, SIMULATION OF PHYSICAL VAPOR DEPOSITION USING COMBINED HYPERDYNAMICS AND PARALLEL REPLICA DYNAMICS

 

Sharon C. Glotzer and Claudio Donati, COOPERATIVE PARTICLE MOTION IN GLASS-FORMING LIQUIDS

 

Amit Gupta and Randall Q. Snurr, SIMULATION OF ACTIVATED MOLECULAR PASSING EVENTS IN ZEOLITE NANOPORES

 

J. C. Hamilton, APPLICATIONS OF TRANSITION FINDING TECHNIQUES TO ISLAND DIFFUSION ON SURFACES

 

Kenneth C. Hass, William F. Schneider, Alessandro Curioni, Wanda Andreoni, THE CHEMISTRY OF WATER ON ALUMINA SURFACES: REACTION DYNAMICS FROM FIRST PRINCIPLES

 

Roger Haydock, SOLVING LIOUVILLE'S EQUATION FOR THE RATES OF SLOW PROCESSES

 

J. Heinonen, I. Koponen, J. Merikoski and T. Ala-Nissila, DIFFUSION OF CU ISLANDS ON THE CU(100) SURFACE

 

R.G. Hoagland and R.J. Kurtz, AN APPLICATION OF ELASTIC BAND METHODS TO DETERMINE GRAIN BOUNDARY SLIDING RESISTANCE

 

Hannes Jonsson, METHODS FOR FINDING THE MECHANISM AND RATE OF SLOW TRANSITIONS 

 

M. Kaukonen, J. Peräjoki, R. Nieminen, G. Jungnickel, T. Frauenheim, LOCALLY ACTIVATED MONTE CARLO (LAMC) METHOD FOR LONG TIME-SCALE SIMULATIONS 

 

Efthimios Kaxiras, APPLICATIONS OF FIRST-PRINCIPLES AND EMPIRICAL METHODS IN DETERMINING ACTIVATED STATES AT SURFACES AND INTERFACES OF SILICON

 

J. Kieffer and B. J. Reardon, RATE PHENOMENA AND LYAPUNOV ANALYSIS OF ATOMIC TRAJECTORIES

 

Dmitry Kopelevich and Hsueh-Chia Chang, LATTICE VIBRATION-DRIVEN DIFFUSION THROUGH ZEOLITES

 

Nikolaos P. Kopsias and Doros N. Theodorou, ELEMENTARY STRUCTURAL TRANSITIONS IN A SIMPLE AMORPHOUS SOLID USING MULTIDIMENSIONAL TRANSITION-STATE THEORY

 

D. McKay, T. Kosugi and A.V. Granato, TUNNELING OF A STRING THROUGH A POTENTIAL BARRIER

 

Francesco Montalenti and Riccardo Ferrando, LONG JUMPS IN SURFACE DIFFUSION: THEORY AND SIMULATION

 

Normand Mousseau and Gerard T. Barkema, IDENTIFICATION OF ACTIVATED MECHANISMS IN COMPLEX MATERIALS USING THE ACTIVATION-RELAXATION TECHNIQUE

 

S. Mukherjee and B. R. Cooper, TRACE ELEMENT DIFFUSION IN BULK NiAl

 

S. Pal and K. A. Fichthorn, ACCELERATED MOLECULAR DYNAMICS OF RARE EVENTS

 

W. G. Rudd and A.F. Voter, HYPERDYNAMICS SIMULATIONS USING A SIMPLE BIAS POTENTIAL

 

Steven D. Schwartz, QUANTUM DYNAMICS IN CONDENSED PHASES - NEW APPROACHES AND APPLICATIONS

 

David S. Sholl, ACTIVATED TRANSPORT OF MOLECULAR CLUSTERS IN MOLECULAR SIEVE MICROPORES

 

Eunji Sim, Alexander Z. Patashinski and Mark A. Ratner, AMORPHIZATION IN PLANAR CLUSTERS 

 

Mads R. Sørensen and Arthur F. Voter,  TEMPERATURE-EXTRAPOLATED DYNAMICS: ACCELERATED SIMULATION OF RARE EVENTS

 

Roland Stumpf and Clarence Tracy, USE OF THE NUDGED ELASTIC BAND METHOD TO CALCULATE DIFFUSION PATHS IN METALS AND SEMICONDUCTORS

 

Kazuo Teraishi, S. Salai Cheettu Ammal, Aruba Yamada, Akira Endou, Momoji Kubo, and Akira Miyamoto, QUANTUM MOLECULAR DYNAMICS STUDY ON THE OXIDATION OF Si SURFACE

 

I. Vattulainen, MEMORY EFFECTS IN ARRHENIUS SURFACE DIFFUSION BARRIERS

 

Arthur F. Voter and Mads R. Sørensen, METHODS FOR EXTENDING THE TIME OF MOLECULAR DYNAMI CS SIMULATIONS OF DIFFUSIVE EVENTS IN MATERIALS

 

Michael C. Zerner,  STUDIES ON THE INITIAL PHOTOCHEMICAL EVENT IN PHOTOSYNTHETIC SYSTEMS

 

Since Dec. 14, 1998, this page has been accessed times.

 


Acknowledgment and Disclaimer