Jimmie D. Doll - Publications

Affiliations: 
Chemistry Brown University, Providence, RI 
Area:
theoretical approaches to many-body chemical phenomena
Website:
http://www.research.brown.edu/research/profile.php?id=1106970110&r=1

154 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2017 Doll JD, Dupuis P, Nyquist P. Thermodynamic integration methods, infinite swapping, and the calculation of generalized averages. The Journal of Chemical Physics. 146: 134111. PMID 28390386 DOI: 10.1063/1.4979493  0.48
2015 Doll JD, Dupuis P. On performance measures for infinite swapping Monte Carlo methods. The Journal of Chemical Physics. 142: 024111. PMID 25591342 DOI: 10.1063/1.4904890  1
2014 Hédin F, Plattner N, Doll JD, Meuwly M. Spatial Averaging: Sampling Enhancement for Exploring Configurational Space of Atomic Clusters and Biomolecules. Journal of Chemical Theory and Computation. 10: 4284-96. PMID 26588125 DOI: 10.1021/Ct500529W  0.56
2014 Hédin F, Plattner N, Doll JD, Meuwly M. Spatial averaging: Sampling enhancement for exploring configurational space of atomic clusters and biomolecules Journal of Chemical Theory and Computation. 10: 4284-4296. DOI: 10.1021/ct500529w  1
2013 Plattner N, Doll JD, Meuwly M. Overcoming the Rare Event Sampling Problem in Biological Systems with Infinite Swapping. Journal of Chemical Theory and Computation. 9: 4215-24. PMID 26592410 DOI: 10.1021/Ct400355G  0.56
2013 Plattner N, Doll JD, Meuwly M. Overcoming the rare event sampling problem in biological systems with infinite swapping Journal of Chemical Theory and Computation. 9: 4215-4224. DOI: 10.1021/ct400355g  1
2012 Doll JD, Hu B, Papadimitrakopoulos F. Precursor and oxygen dependence of the unidirectional, seeded growth of CdSe nanorods. Chemistry of Materials : a Publication of the American Chemical Society. 24: 4043-4050. PMID 23230347 DOI: 10.1021/Cm3012809  0.32
2012 Doll JD, Plattner N, Freeman DL, Liu Y, Dupuis P. Rare-event sampling: occupation-based performance measures for parallel tempering and infinite swapping Monte Carlo methods. The Journal of Chemical Physics. 137: 204112. PMID 23205986 DOI: 10.1063/1.4765060  1
2012 Lee T, Baskes MI, Valone SM, Doll JD. Atomistic modeling of thermodynamic equilibrium and polymorphism of iron. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 24: 225404. PMID 22585441 DOI: 10.1088/0953-8984/24/22/225404  1
2012 Dupuis P, Liu Y, Plattner N, Doll JD. On the infinite swapping limit for parallel tempering Multiscale Modeling and Simulation. 10: 986-1022. DOI: 10.1137/110853145  1
2012 Plattner N, Kunikeev S, Freeman DL, Doll JD. Numerical investigation of the cumulant expansion for fourier path integrals Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics). 7134: 13-22. DOI: 10.1007/978-3-642-28145-7_2  1
2011 Plattner N, Doll JD, Dupuis P, Wang H, Liu Y, Gubernatis JE. An infinite swapping approach to the rare-event sampling problem. The Journal of Chemical Physics. 135: 134111. PMID 21992286 DOI: 10.1063/1.3643325  1
2010 Rubenstein BM, Gubernatis JE, Doll JD. Comparative Monte Carlo efficiency by Monte Carlo analysis. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 82: 036701. PMID 21230207 DOI: 10.1103/Physreve.82.036701  1
2010 Kunikeev SD, Freeman DL, Doll JD. Convergence characteristics of the cumulant expansion for Fourier path integrals. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 81: 066707. PMID 20866544 DOI: 10.1103/Physreve.81.066707  1
2010 Plattner N, Doll JD, Meuwly M. Spatial averaging for small molecule diffusion in condensed phase environments. The Journal of Chemical Physics. 133: 044506. PMID 20687662 DOI: 10.1063/1.3458639  1
2010 Meuwly M, Doll JD. Finite-temperature quantum simulations of mixed rare gas clusters. The Journal of Chemical Physics. 132: 234315. PMID 20572713 DOI: 10.1063/1.3431080  1
2010 Doll JD, Pilania G, Ramprasad R, Papadimitrakopoulos F. Oxygen-assisted unidirectional growth of CdSe nanorods using a low-temperature redox process. Nano Letters. 10: 680-5. PMID 20095628 DOI: 10.1021/Nl903843G  0.32
2009 Asare E, Musah AR, Curotto E, Freeman DL, Doll JD. The thermodynamic and ground state properties of the TIP4P water octamer. The Journal of Chemical Physics. 131: 184508. PMID 19916613 DOI: 10.1063/1.3259047  1
2009 Doll JD, Gubernatis JE, Plattner N, Meuwly M, Dupuis P, Wang H. A spatial averaging approach to rare-event sampling Journal of Chemical Physics. 131. DOI: 10.1063/1.3220629  1
2009 Sharif K, Freeman DL, Doll JD. A numerical study of the asymptotic convergence characteristics of partial averaged and reweighted Fourier path integral methods International Journal of Quantum Chemistry. 109: 2916-2925. DOI: 10.1002/Qua.22241  1
2008 Curotto E, Freeman DL, Doll JD. A stereographic projection path integral study of the coupling between the orientation and the bending degrees of freedom of water. The Journal of Chemical Physics. 128: 204107. PMID 18513010 DOI: 10.1063/1.2925681  1
2008 Sabo D, Meuwly M, Freeman DL, Doll JD. A constant entropy increase model for the selection of parallel tempering ensembles. The Journal of Chemical Physics. 128: 174109. PMID 18465912 DOI: 10.1063/1.2907846  1
2008 Plattner N, Bandi T, Doll JD, Freeman DL, Meuwly M. MD simulations using distributed multipole electrostatics: Structural and spectroscopic properties of CO- and methane-containing clathrates Molecular Physics. 106: 1675-1684. DOI: 10.1080/00268970802314394  1
2007 Langley SF, Curotto E, Freeman DL, Doll JD. Rigid quantum Monte Carlo simulations of condensed molecular matter: water clusters in the n=2-->8 range. The Journal of Chemical Physics. 126: 084506. PMID 17343457 DOI: 10.1063/1.2484229  1
2005 Nigra P, Freeman DL, Doll JD. Combining smart darting with parallel tempering using Eckart space: application to Lennard-Jones clusters. The Journal of Chemical Physics. 122: 114113. PMID 15836207 DOI: 10.1063/1.1858433  1
2005 Sabo D, Freeman DL, Doll JD. Pressure dependent study of the solid-solid phase change in 38-atom Lennard-Jones cluster. The Journal of Chemical Physics. 122: 094716. PMID 15836171 DOI: 10.1063/1.1857521  1
2004 Diaconu CV, Cho AE, Doll JD, Freeman DL. Broken-symmetry unrestricted hybrid density functional calculations on nickel dimer and nickel hydride. The Journal of Chemical Physics. 121: 10026-40. PMID 15549878 DOI: 10.1063/1.1798992  1
2004 Sabo D, Predescu C, Doll JD, Freeman DL. Phase changes in selected Lennard-Jones X13-nYn clusters. The Journal of Chemical Physics. 121: 856-67. PMID 15260616 DOI: 10.1063/1.1759625  1
2004 Sabo D, Doll JD, Freeman DL. Taming the rugged landscape: production, reordering, and stabilization of selected cluster inherent structures in the X13-nYn system. The Journal of Chemical Physics. 121: 847-55. PMID 15260615 DOI: 10.1063/1.1759619  1
2004 Nigra P, Freeman DL, Sabo D, Doll JD. On the encapsulation of nickel clusters by molecular nitrogen. The Journal of Chemical Physics. 121: 475-82. PMID 15260569 DOI: 10.1063/1.1757435  1
2003 Predescu C, Doll JD. Random series and discrete path integral methods: The Lévy-Ciesielski implementation. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 67: 026124. PMID 12636765 DOI: 10.1103/Physreve.67.026124  1
2003 Predescu C, Sabo D, Doll JD, Freeman DL. Heat capacity estimators for random series path-integral methods by finite-difference schemes Journal of Chemical Physics. 119: 12119-12128. DOI: 10.1063/1.1625366  1
2003 Predescu C, Sabo D, Doll JD, Freeman DL. Energy estimators for random series path-integral methods Journal of Chemical Physics. 119: 10475-10488. DOI: 10.1063/1.1619372  1
2003 Predescu C, Sabo D, Doll JD. Numerical implementation of some reweighted path integral methods Journal of Chemical Physics. 119: 4641-4654. DOI: 10.1063/1.1595640  1
2003 Sabo D, Doll JD, Freeman DL. Taming the rugged landscape: Techniques for the production, reordering, and stabilization of selected cluster inherent structures Journal of Chemical Physics. 118: 7321-7328. DOI: 10.1063/1.1562621  1
2003 Ferrante DD, Doll J, Guralnik GS, Sabo D. Mollified Monte Carlo Nuclear Physics B - Proceedings Supplements. 119: 965-967. DOI: 10.1016/S0920-5632(03)01732-8  1
2003 Guralnik GS, Doll J, Easther R, Emirdag P, Ferrante DD, Hahn S, Petrov D, Sabo D. Alternative numerical techniques Nuclear Physics B - Proceedings Supplements. 119: 950-952. DOI: 10.1016/S0920-5632(03)01728-6  1
2002 Predescu C, Doll JD. Optimal series representations for numerical path integral simulations Journal of Chemical Physics. 117: 7448-7463. DOI: 10.1063/1.1509058  1
2002 Cho AE, Doll JD, Freeman DL. Wavelet formulation of path integral Monte Carlo Journal of Chemical Physics. 117: 5971-5977. DOI: 10.1063/1.1504439  1
2002 Sabo D, Doll JD, Freeman DL. Stationary tempering and the complex quadrature problem Journal of Chemical Physics. 116: 3509-3520. DOI: 10.1063/1.1446431  1
2002 Meuwly M, Doll JD. Dynamical studies of mixed rare-gas clusters: Collision-induced absorption in (Ne)n-(Ar)m (n + m ≤ 100) Physical Review a - Atomic, Molecular, and Optical Physics. 66: 023202/1-023202/9.  1
2000 Neirotti JP, Freeman DL, Doll JD. Approach to ergodicity in monte carlo simulations Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 62: 7445-61. PMID 11102107 DOI: 10.1103/Physreve.62.7445  1
2000 Calvo F, Neirotti JP, Freeman DL, Doll JD. Phase changes in 38-atom Lennard-Jones clusters. II. A parallel tempering study of equilibrium and dynamic properties in the molecular dynamics and microcanonical ensembles Journal of Chemical Physics. 112: 10350-10357. DOI: 10.1063/1.481672  1
2000 Neirotti JP, Calvo F, Freeman DL, Doll JD. Phase changes in 38-atom Lennard-Jones clusters. I. A parallel tempering study in the canonical ensemble Journal of Chemical Physics. 112: 10340-10349. DOI: 10.1063/1.481671  1
2000 Neirotti JP, Freeman DL, Doll JD. A heat capacity estimator for Fourier path integral simulations Journal of Chemical Physics. 112: 3990-3996. DOI: 10.1063/1.480999  1
2000 Bae C, Freeman DL, Doll JD, Kresse G, Hafner J. Energetics of hydrogen chemisorbed on Cu(110): a first principles calculations study Journal of Chemical Physics. 113: 6926-6932. DOI: 10.1063/1.1311293  1
2000 Sabo D, Doll JD, Freeman DL. Self-adaptive quadrature and numerical path integration Journal of Chemical Physics. 113: 2522-2529. DOI: 10.1063/1.1305743  1
2000 Goodson DZ, Roelse DW, Chiang WT, Valone SM, Doll JD. A simple method for calculating quantum effects on the temperature dependence of bimolecular reaction rates: Application to H2 + H → H + H2 and CH4 + H → CH3 + H2 Journal of the American Chemical Society. 122: 9189-9195. DOI: 10.1021/Ja000674+  1
1999 Eleftheriou M, Doll JD, Curotto E, Freeman DL. Asymptotic convergence rates of Fourier path integral methods Journal of Chemical Physics. 110: 6657-6672. DOI: 10.1063/1.478573  1
1999 Faken DB, Voter AF, Freeman DL, Doll JD. Dimensional Strategies and the Minimization Problem: Barrier-Avoiding Algorithms Journal of Physical Chemistry A. 103: 9521-9526. DOI: 10.1021/Jp9920949  1
1998 Curotto E, Freeman DL, Doll JD. A j-walking algorithm for microcanonical simulations: Applications to Lennard-Jones clusters Journal of Chemical Physics. 109: 1643-1647. DOI: 10.1063/1.476738  1
1998 Chen B, Gomez MA, Doll JD, Freeman DL. Theoretical studies of the effect of hydrogen-hydrogen interactions on the structural and dynamical properties of metal/hydrogen clusters Journal of Chemical Physics. 108: 4031-4038. DOI: 10.1063/1.475802  1
1998 Kim D, Doll JD, Freeman DL. Dynamic path integral methods: A maximum entropy approach based on the combined use of real and imaginary time quantum Monte Carlo data Journal of Chemical Physics. 108: 3871-3875. DOI: 10.1063/1.475790  1
1998 Curotto E, Matro A, Freeman DL, Doll JD. A semi-empirical potential for simulations of transition metal clusters: Minima and isomers of Nin (n=2-13) and their hydrides Journal of Chemical Physics. 108: 729-742. DOI: 10.1063/1.475433  1
1998 Curotto E, Freeman DL, Chen B, Doll JD. The melting transition of Ni 7 and Ni 7 H as modeled by a semi-empirical potential Chemical Physics Letters. 295: 366-372. DOI: 10.1016/S0009-2614(98)00991-9  1
1997 Kim D, Doll JD, Gubernatis JE. The quantum dynamics of interfacial hydrogen: Path integral maximum entropy calculation of adsorbate vibrational line shapes for the H/Ni(111) system Journal of Chemical Physics. 106: 1641-1645. DOI: 10.1063/1.473231  1
1997 Eleftheriou M, Kim D, Doll JD, Freeman DL. Information theory and the optimization of Monte Carlo simulations Chemical Physics Letters. 276: 353-360. DOI: 10.1016/S0009-2614(97)00839-7  1
1996 Freeman DL, Doll JD. Computational Studies of Clusters: Methods and Results Annual Review of Physical Chemistry. 47: 43-80. DOI: 10.1146/Annurev.Physchem.47.1.43  1
1996 Chen B, Gomez MA, Sehl M, Doll JD, Freeman DL. Theoretical studies of the structure and dynamics of metal/hydrogen systems: Diffusion and path integral Monte Carlo investigations of nickel and palladium clusters Journal of Chemical Physics. 105: 9686-9694. DOI: 10.1063/1.472798  1
1996 Corcelli SA, Doll JD. A Bayesian approach to short-time quantum dynamics: Quantum instantaneous normal modes Chemical Physics Letters. 263: 671-679. DOI: 10.1016/S0009-2614(96)01260-2  1
1994 Freeman DL, Doll JD. Fourier path integral Monte Carlo method for the calculation of the microcanonical density of states The Journal of Chemical Physics. 101: 848-849. DOI: 10.1063/1.468087  1
1994 Matro A, Freeman DL, Doll JD. Locating transition states using double-ended classical trajectories The Journal of Chemical Physics. 101: 10458-10463. DOI: 10.1063/1.467863  1
1994 Rick SW, Doll JD. Vibrational states of the hydrogen isotopes on Pd(111) Surface Science. 302: L305-L311. DOI: 10.1016/0039-6028(94)90826-5  1
1994 Cho AE, Doll JD, Freeman DL. The construction of double-ended classical trajectories Chemical Physics Letters. 229: 218-224. DOI: 10.1016/0009-2614(94)01058-7  1
1994 Doll JD, Freeman DL. Decisions, decisions: Noise and its effects on integral Monte Carlo algorithms Chemical Physics Letters. 227: 436-442. DOI: 10.1016/0009-2614(94)00847-7  1
1994 Finnila AB, Gomez MA, Sebenik C, Stenson C, Doll JD. Quantum annealing: A new method for minimizing multidimensional functions Chemical Physics Letters. 219: 343-348. DOI: 10.1016/0009-2614(94)00117-0  1
1993 Amstrup B, Doll JD, Sauerbrey RA, Szabó G, Lorincz A. Optimal control of quantum systems by chirped pulses. Physical Review. A. 48: 3830-3836. PMID 9910055 DOI: 10.1103/PhysRevA.48.3830  1
1993 Rick SW, Lynch DL, Doll JD. The quantum dynamics of hydrogen and deuterium on the Pd(111) surface: A path integral transition state theory study The Journal of Chemical Physics. 99: 8183-8193.  1
1992 Lynch DL, Rick SW, Gomez MA, Spath BW, Doll JD, Pratt LR. Spectroscopic studies of surface and subsurface hydrogen/metal systems The Journal of Chemical Physics. 97: 5177-5181. DOI: 10.1063/1.463816  1
1992 Frantz DD, Freeman DL, Doll JD. Extending J walking to quantum systems: Applications to atomic clusters The Journal of Chemical Physics. 97: 5713-5731. DOI: 10.1063/1.463756  1
1992 Leitner DM, Doll JD, Whitnell RM. Vibrational states of Lennard-Jones trimers The Journal of Chemical Physics. 96: 9239-9240. DOI: 10.1063/1.462235  1
1992 Rick SW, Doll JD. Whither magic numbers: a variational Monte Carlo study of six and seven atom helium clusters Chemical Physics Letters. 188: 149-153. DOI: 10.1016/0009-2614(92)85105-J  1
1991 Rick SW, Leitner DL, Doll JD, Freeman DL, Frantz DD. The quantum mechanics of clusters: The low-temperature equilibrium and dynamical behavior of rare-gas systems The Journal of Chemical Physics. 95: 6658-6667. DOI: 10.1063/1.461536  1
1991 Rick SW, Lynch DL, Doll JD. A variational Monte Carlo study of argon, neon, and helium clusters The Journal of Chemical Physics. 95: 3506-3520. DOI: 10.1063/1.460853  1
1991 Leitner DM, Doll JD, Whitnell RM. Quantum mechanics of small Ne, Ar, Kr, and Xe clusters The Journal of Chemical Physics. 94: 6644-6659. DOI: 10.1063/1.460292  1
1990 Frantz DD, Freeman DL, Doll JD. Reducing quasi-ergodic behavior in Monte Carlo simulations by J-walking: Applications to atomic clusters The Journal of Chemical Physics. 93: 2769-2784. DOI: 10.1063/1.458863  1
1989 Xie J, Northby JA, Freeman DL, Doll JD. Theoretical studies of the energetics and structures of atomic clusters The Journal of Chemical Physics. 91: 612-619. DOI: 10.1063/1.457447  1
1989 Zhang C, Freeman DL, Doll JD. Monte Carlo studies of hydrogen fluoride clusters: Cluster size distributions in hydrogen fluoride vapor The Journal of Chemical Physics. 91: 2489-2497. DOI: 10.1063/1.457008  1
1989 Coalson RD, Freeman DL, Doll JD. Cumulant methods and short time propagators The Journal of Chemical Physics. 91: 4242-4248. DOI: 10.1063/1.456803  1
1989 Beck TL, Doll JD, Freeman DL. The quantum mechanics of cluster melting The Journal of Chemical Physics. 90: 5651-5656. DOI: 10.1063/1.456687  1
1989 Beck TL, Doll JD, Freeman DL. Locating stationary paths in functional integrals: An optimization method utilizing the stationary phase Monte Carlo sampling function The Journal of Chemical Physics. 90: 3181-3191. DOI: 10.1063/1.455868  1
1989 Northby JA, Xie J, Freeman DL, Doll JD. Binding energy of large icosahedral and cuboctahedral Lennard-Jones clusters Zeitschrift FüR Physik D Atoms, Molecules and Clusters. 12: 69-71. DOI: 10.1007/Bf01426907  1
1989 Voter AF, Doll JD, Cohen JM. Using multistate dynamical corrections to compute classically exact diffusion constants at arbitrary temperature The Journal of Chemical Physics. 90: 2045-2049.  1
1988 Doll JD, Beck TL, Freeman DL. Quantum Monte Carlo dynamics: The stationary phase Monte Carlo path integral calculation of finite temperature time correlation functions The Journal of Chemical Physics. 89: 5753-5763. DOI: 10.1063/1.455551  1
1988 Doll JD, Freeman DL. A comparative analysis of stationary-phase Monte Carlo methods Journal of Physical Chemistry. 92: 3278-3280. DOI: 10.1021/J100322A041  1
1988 Doll JD, Freeman DL, Gillan MJ. Stationary phase Monte Carlo methods: An exact formulation Chemical Physics Letters. 143: 277-283. DOI: 10.1016/0009-2614(88)87380-9  1
1987 Doll JD, Coalson RD, Freeman DL. Toward a Monte Carlo theory of quantum dynamics The Journal of Chemical Physics. 87: 1641-1647. DOI: 10.1063/1.453226  1
1986 Doll JD, Freeman DL. Randomly exact methods. Science (New York, N.Y.). 234: 1356-60. PMID 17755058 DOI: 10.1126/Science.234.4782.1356  1
1986 Coalson RD, Freeman DL, Doll JD. Partial averaging approach to Fourier coefficient path integration The Journal of Chemical Physics. 85: 4567-4583. DOI: 10.1063/1.451778  1
1986 Valone SM, Voter AF, Doll JD. The influence of substrate motion on the self-diffusion of hydrogen and its isotopes on the copper (100) surface The Journal of Chemical Physics. 85: 7480-7486. DOI: 10.1063/1.451337  1
1986 Freeman DL, Coalson RD, Doll JD. Fourier path integral methods: A model study of simple fluids Journal of Statistical Physics. 43: 931-934. DOI: 10.1007/Bf02628320  1
1985 Doll JD, Coalson RD, Freeman DL. Fourier path-integral Monte Carlo methods: Partial averaging. Physical Review Letters. 55: 1-4. PMID 10031665 DOI: 10.1103/Physrevlett.55.1  1
1985 Doll JD, Freeman DL. A comparison of energy estimators used in quantum Monte Carlo calculations The Journal of Chemical Physics. 83: 768-771. DOI: 10.1063/1.449491  1
1985 Freeman DL, Doll JD. Quantum Monte Carlo study of the thermodynamic properties of argon clusters: The homogeneous nucleation of argon in argon vapor and "magic number" distributions in argon vapor The Journal of Chemical Physics. 82: 462-471. DOI: 10.1063/1.448768  1
1985 Voter AF, Doll JD. Dynamical corrections to transition state theory for multistate systems: Surface self-diffusion in the rare-event regime The Journal of Chemical Physics. 82: 80-92. DOI: 10.1063/1.448739  1
1985 Valone SM, Voter AF, Doll JD. The isotope and temperature dependence of self-diffusion for hydrogen, deuterium, and tritium on Cu(100) in the 100-1000 K range Surface Science. 155: 687-699. DOI: 10.1016/0039-6028(85)90022-6  1
1984 Doll JD. Monte Carlo Fourier path integral methods in chemical dynamics The Journal of Chemical Physics. 81: 3536-3541. DOI: 10.1063/1.448081  1
1984 Freeman DL, Doll JD. A Monte Carlo method for quantum Boltzmann statistical mechanics using Fourier representations of path integrals The Journal of Chemical Physics. 80: 5709-5718. DOI: 10.1063/1.446640  1
1984 Voter AF, Doll JD. Transition state theory description of surface self-diffusion: Comparison with classical trajectory results The Journal of Chemical Physics. 80: 5832-5838. DOI: 10.1063/1.446610  1
1984 Voter AF, Doll JD. Surface self-diffusion constants at low temperature: Monte Carlo transition state theory with importance sampling The Journal of Chemical Physics. 80: 5814-5817. DOI: 10.1063/1.446606  1
1984 Valone SM, Doll JD. A coverage study of the self-diffusion and chemical diffusion constants for disordered overlayers of Xe on W(110) Surface Science. 139: 478-490. DOI: 10.1016/0039-6028(84)90065-7  1
1984 Freeman DL, Doll JD. A Monte Carlo method for quantum Boltzmann statistical mechanics using Fourier representations of path integrals The Journal of Chemical Physics. 80: 5709-5718.  1
1983 Adams JE, Doll JD. Thermal desorption of argon and neon from solid xenon. II. Sticking probabilities The Journal of Chemical Physics. 80: 1681-1686. DOI: 10.1063/1.446870  1
1983 Freeman DL, Doll JD. Langevin analysis of the diffusion model for surface chemical reactions The Journal of Chemical Physics. 79: 2343-2350. DOI: 10.1063/1.446039  1
1983 Doll JD, McDowell HK, Valonec SM. Theoretical studies of surface diffusion: A strategy for enhanced sampling The Journal of Chemical Physics. 78: 5276-5277. DOI: 10.1063/1.445357  1
1983 McDowell HK, Doll JD. Theoretical studies of surface diffusion: Self-diffusion in the fcc(100) system The Journal of Chemical Physics. 78: 3219-3222. DOI: 10.1063/1.445238  1
1983 McDowell HK, Valone SM, Doll JD. Numerical simulations of adatom pair distribution functions Surface Science. 131: 511-516. DOI: 10.1016/0039-6028(83)90295-9  1
1983 Doll JD, Freeman DL. A monte-carlo/molecular dynamics study of the diffusional recombination kinetics of C(a) + O(a) → CO(g) on Pt(111) Surface Science. 134: 769-776. DOI: 10.1016/0039-6028(83)90073-0  1
1982 Freeman DL, Doll JD. The influence of diffusion on surface reaction kinetics The Journal of Chemical Physics. 78: 6002-6009. DOI: 10.1063/1.444616  1
1982 Adams JE, Doll JD. Thermal desorption of argon and neon from solid xenon. I. Transition state theory rate constants The Journal of Chemical Physics. 77: 2964-2967. DOI: 10.1063/1.444218  1
1982 McDowell HK, Doll JD. Theoretical studies of surface diffusion: Self-diffusion in the bcc (110) system Surface Science. 121: L537-L540. DOI: 10.1016/0039-6028(82)90230-8  1
1982 Valone SM, Doll JD, Keith McDowell H. Potentials of mean force for adatoms on surfaces Surface Science. 119: 71-78. DOI: 10.1016/0039-6028(82)90188-1  1
1982 Doll JD, McDowell HK. Theoretical studies of surface diffusion: Self-diffusion in the bcc (211) system Surface Science. 123: 99-105. DOI: 10.1016/0039-6028(82)90132-7  1
1982 Doll JD, McDowell HK. Theoretical studies of surface diffusion: Self-diffusion in the fcc (111) system The Journal of Chemical Physics. 77: 479-483.  1
1981 Adams JE, Doll JD. A Monte Carlo evaluation of thermal desorption rates The Journal of Chemical Physics. 74: 5332-5333. DOI: 10.1063/1.441705  1
1981 Adams JE, Doll JD. Desorption from solid surfaces via generalized Slater theory The Journal of Chemical Physics. 74: 1467-1471. DOI: 10.1063/1.441160  1
1981 Brady JW, Doll JD, Thompson DL. Cluster dynamics: A classical trajectory study of A *n→An-1+A The Journal of Chemical Physics. 74: 1026-1028. DOI: 10.1063/1.438653  1
1981 Adams JE, Doll JD. Dynamical corrections to transition state theory adsorption rates: Effect of a precursor state Surface Science. 103: 472-481. DOI: 10.1016/0167-2584(81)90647-2  1
1981 Adams JE, Doll JD. Dynamical aspects of precursor state kinetics Surface Science. 111: 492-502. DOI: 10.1016/0039-6028(81)90404-0  1
1981 McDowell K, Doll JD. Quantum Monte Carlo and the hydride ion Chemical Physics Letters. 82: 127-129. DOI: 10.1016/0009-2614(81)85121-4  1
1981 Doll JD. Monte Carlo based electronic structure techniques: analysis and applications Chemical Physics Letters. 81: 335-338. DOI: 10.1016/0009-2614(81)80264-3  1
1981 Doll JD. Monte Carlo sampling techniques and the evaluation of unimolecular rate constants The Journal of Chemical Physics. 74: 1074-1077.  1
1980 Adams JE, Doll JD. Dynamics of ion channeling at low energies: Nonnormal incidence The Journal of Chemical Physics. 74: 2075-2076. DOI: 10.1063/1.441255  1
1980 Doll JD. A unified theory of dissociation The Journal of Chemical Physics. 73: 2760-2762. DOI: 10.1063/1.440496  1
1980 Brady JW, Doll JD, Thompson DL. Cluster dynamics: Further classical trajectory studies of A+A n⇄A*n+1 The Journal of Chemical Physics. 73: 2767-2772. DOI: 10.1063/1.440444  1
1980 Adams JE, Doll JD. Dynamics of ion channeling at low energies: Preliminary trajectory studies The Journal of Chemical Physics. 73: 2137-2144. DOI: 10.1063/1.440409  1
1980 Bradya JW, Doll JD, Thompson DL. A classical trajectory study of xenon atom-chlorine dimer collisions The Journal of Chemical Physics. 73: 292-296. DOI: 10.1063/1.439872  1
1980 Doll JD. Anharmonic corrections in unimolecular theory: a monte carlo approach Chemical Physics Letters. 72: 139-142. DOI: 10.1016/0009-2614(80)80259-4  1
1979 Doll JD, Myers LE. Semiclassical Monte Carlo methods The Journal of Chemical Physics. 71: 2880-2883. DOI: 10.1063/1.438688  1
1979 Brady JW, Doll JD, Thompson DL. Cluster dynamics: A classical trajectory study of A + An?A*n+1 Journal of Chemical Physics. 71: 2467-2472. DOI: 10.1063/1.438653  1
1979 Doll JD, Reinhardt WP. π electron theories viewed as parametrizations of the one-body green's function Journal of Physical Chemistry. 83: 1508-1517.  1
1978 Brady JW, Doll JD, Thompson DL. Velocity dependence of angular distributions in gas/solid-surface collisions: Relationship to the interaction potential The Journal of Chemical Physics. 69: 3458-3461. DOI: 10.1063/1.437077  1
1978 Rossky PJ, Doll JD, Friedman HL. Brownian dynamics as smart Monte Carlo simulation The Journal of Chemical Physics. 69: 4628-4633. DOI: 10.1063/1.436415  1
1978 Doll JD. Generalized Langevin theory of gas/solid-surface dynamics: A formulation for thermal desorption The Journal of Chemical Physics. 68: 3158-3161.  1
1977 Adelman SA, Doll JD. Brownian motion and chemical dynamics on solid surfaces Accounts of Chemical Research. 10: 378-384. DOI: 10.1021/Ar50118A005  1
1977 Doll JD. A simple model for the internal mode dependence of gas/solid-surface sticking probabilities The Journal of Chemical Physics. 66: 5709-5711.  1
1977 Doll JD, Dion DR. Generalized Langevin equation approach for atom-solid surface scattering: Techniques for construction of time domain kernels The Journal of Chemical Physics. 67: 3181-3188.  1
1976 Adelman SA, Doll JD. Generalized Langevin equation approach for atom/solid-surface scattering: General formulation for classical scattering off harmonic solids The Journal of Chemical Physics. 64: 2375-2388. DOI: 10.1063/1.432526  1
1976 Dion DR, Doll JD. Semiclassical theory of atom/solid surface collisions; Solution of steele's model Surface Science. 58: 415-428. DOI: 10.1016/0039-6028(76)90479-9  1
1976 Doll JD, Dion DR. Brownian dynamics for gaussian random sources Chemical Physics Letters. 37: 386-390. DOI: 10.1016/0009-2614(76)80239-4  1
1976 Doll JD, Dion DR. Generalized Langevin equation approach for atom/solid-surface scattering: Numerical techniques for Gaussian generalized Langevin dynamics The Journal of Chemical Physics. 65: 3762-3766.  1
1975 Doll JD, Reinhardt WP. Analytical evaluation of 1-matrices, a generalization of the Kato perturbation technique The Journal of Chemical Physics. 62: 2003-2004. DOI: 10.1063/1.430656  1
1975 Doll JD, Myers LE, Adelman SA. Generalized Langevin equation approach for atom/solid-surface scattering: Inelastic studies The Journal of Chemical Physics. 63: 4908-4914.  1
1974 Eastes W, Doll JD. Semiclassical calculation of the harmonic oscillator transition probability for a collinear hard sphere collision The Journal of Chemical Physics. 60: 297-302. DOI: 10.1063/1.1680783  1
1974 Doll JD. Semiclassical theory of atom-solid surface collisions: Elastic scattering Chemical Physics. 3: 257-264. DOI: 10.1016/0301-0104(74)80066-2  1
1974 Doll JD. Determination of gas/surface interaction potentials: Extraction of the Lennard-Jones, Devonshire strength parameter Chemical Physics Letters. 29: 195-198. DOI: 10.1016/0009-2614(74)85011-6  1
1974 Doll JD. Semiclassical theory of atom-solid-surface collisions: Application to He-LiF diffraction The Journal of Chemical Physics. 61: 954-957.  1
1974 Adelman SA, Doll JD. Generalized Langevin equation approach for atom/solid-surface scattering: Collinear atom/harmonic chain model The Journal of Chemical Physics. 61: 4246-4250.  1
1973 Doll JD. Simple classical model for the scattering of diatomic molecules from a solid surface The Journal of Chemical Physics. 59: 1038-1042. DOI: 10.1063/1.1680146  1
1973 Doll JD, George TF, Miller WH. Complex-valued classical trajectories for reactive tunneling in three-dimensional collisions of H and H2 The Journal of Chemical Physics. 1343-1351.  1
1972 Doll JD, Reinhardt WP. Many-body green's functions for finite, nonuniform systems: Applications to closed shell atoms The Journal of Chemical Physics. 57: 1169-1184. DOI: 10.1063/1.1678374  1
1972 Doll JD, Miller WH. Classical-limit quantization of nonseparable systems: Multidimensional WKB perturbation theory The Journal of Chemical Physics. 57: 4443-4445.  1
1972 Doll JD, Miller WH. Classical S-matrix for vibrational excitation of H2 by collision with he in three dimensions The Journal of Chemical Physics. 57: 5019-5026.  1
1969 Reinhabdt WP, Doll JD. Direct calculation of natural orbitals by many-body perturbation theory: Application to helium [4] The Journal of Chemical Physics. 50: 2767-2768.  1
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