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Jeremy Schofield - Publications

Affiliations: 
University of Toronto, Toronto, ON, Canada 
Area:
Physical Chemistry, Computer Science
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53 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
2020 Houshmand F, Friedman R, Jalili S, Schofield J. Exciton effect in new generation of carbon nanotubes: graphdiyne nanotubes. Journal of Molecular Modeling. 26: 171. PMID 32524265 DOI: 10.1007/S00894-020-04401-9  0.326
2019 Huang MJ, Schofield J, Gaspard P, Kapral R. From single particle motion to collective dynamics in Janus motor systems. The Journal of Chemical Physics. 150: 124110. PMID 30927899 DOI: 10.1063/1.5081820  0.323
2018 Huang MJ, Schofield J, Gaspard P, Kapral R. Dynamics of Janus motors with microscopically reversible kinetics. The Journal of Chemical Physics. 149: 024904. PMID 30007391 DOI: 10.1063/1.5029344  0.33
2017 Schofield J. Optimization and Automation of the Construction of Smooth Free Energy Profiles. The Journal of Physical Chemistry. B. PMID 28640619 DOI: 10.1021/Acs.Jpcb.7B04871  0.315
2017 Huang M, Schofield J, Kapral R. Transport in active systems crowded by obstacles Journal of Physics a: Mathematical and Theoretical. 50: 074001. DOI: 10.1088/1751-8121/50/7/074001  0.317
2017 Huang M, Schofield J, Kapral R. Chemotactic and hydrodynamic effects on collective dynamics of self-diffusiophoretic Janus motors New Journal of Physics. 19: 125003. DOI: 10.1088/1367-2630/Aa958C  0.347
2016 Jalili S, Akhavan M, Schofield J. Effect of point defects on the properties of silicene-like BSi3 sheets from first-principles Journal of Physics and Chemistry of Solids. 95: 106-113. DOI: 10.1016/J.Jpcs.2016.04.004  0.301
2015 Jalili S, Maleki A, Akhavan M, Najafi B, Schofield J. Free energy simulations of amylin I26P mutation in a lipid bilayer. European Biophysics Journal : Ebj. 44: 37-47. PMID 25427619 DOI: 10.1007/S00249-014-0999-0  0.309
2015 Jalili S, Houshmand F, Schofield J. Study of carrier mobility of tubular and planar graphdiyne Applied Physics a: Materials Science and Processing. 119: 571-579. DOI: 10.1007/S00339-015-8992-8  0.346
2014 Schofield J, Bayat H. Derivation of a Markov state model of the dynamics of a protein-like chain immersed in an implicit solvent. The Journal of Chemical Physics. 141: 095101. PMID 25194395 DOI: 10.1063/1.4894436  0.358
2014 Burger SK, Ayers PW, Schofield J. Efficient parameterization of torsional terms for force fields. Journal of Computational Chemistry. 35: 1438-45. PMID 24831846 DOI: 10.1002/Jcc.23636  0.359
2013 Burger SK, Schofield J, Ayers PW. Quantum mechanics/molecular mechanics restrained electrostatic potential fitting. The Journal of Physical Chemistry. B. 117: 14960-6. PMID 24176005 DOI: 10.1021/Jp409568H  0.308
2013 Hsieh C, Schofield J, Kapral R. Forward–backward solution of quantum-classical Liouville equation in the adiabatic mapping basis Molecular Physics. 111: 3546-3554. DOI: 10.1080/00268976.2013.837207  0.325
2012 Raghu RC, Schofield J. Simulation of tethered oligomers in nanochannels using multi-particle collision dynamics. The Journal of Chemical Physics. 137: 014901. PMID 22779677 DOI: 10.1063/1.4731662  0.326
2012 Movahed HB, van Zon R, Schofield J. Free energy landscape of protein-like chains with discontinuous potentials. The Journal of Chemical Physics. 136: 245103. PMID 22755604 DOI: 10.1063/1.4729850  0.332
2012 Schofield J, Inder P, Kapral R. Modeling of solvent flow effects in enzyme catalysis under physiological conditions. The Journal of Chemical Physics. 136: 205101. PMID 22667589 DOI: 10.1063/1.4719539  0.336
2012 Kelly A, van Zon R, Schofield J, Kapral R. Mapping quantum-classical Liouville equation: projectors and trajectories. The Journal of Chemical Physics. 136: 084101. PMID 22380026 DOI: 10.1063/1.3685420  0.327
2010 van Zon R, Schofield J. Constructing smooth potentials of mean force, radial distribution functions, and probability densities from sampled data. The Journal of Chemical Physics. 132: 154110. PMID 20423171 DOI: 10.1063/1.3366523  0.34
2008 van Zon R, Hernández de la Peña L, Peslherbe GH, Schofield J. Quantum free-energy differences from nonequilibrium path integrals. II. Convergence properties for the harmonic oscillator. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 78: 041104. PMID 18999376 DOI: 10.1103/Physreve.78.041104  0.332
2008 van Zon R, Hernández de la Peña L, Peslherbe GH, Schofield J. Quantum free-energy differences from nonequilibrium path integrals. I. Methods and numerical application. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 78: 041103. PMID 18999375 DOI: 10.1103/Physreve.78.041103  0.378
2008 van Zon R, Schofield J. Event-driven dynamics of rigid bodies interacting via discretized potentials. The Journal of Chemical Physics. 128: 154119. PMID 18433202 DOI: 10.1063/1.2901173  0.33
2008 van Zon R, Omelyan IP, Schofield J. Efficient algorithms for rigid body integration using optimized splitting methods and exact free rotational motion. The Journal of Chemical Physics. 128: 136102. PMID 18397113 DOI: 10.1063/1.2889937  0.306
2007 Hernández de la Peña L, van Zon R, Schofield J, Opps SB. Discontinuous molecular dynamics for rigid bodies: applications. The Journal of Chemical Physics. 126: 074106. PMID 17328592 DOI: 10.1063/1.2434959  0.366
2007 Hernández de la Peña L, van Zon R, Schofield J, Opps SB. Discontinuous molecular dynamics for semiflexible and rigid bodies. The Journal of Chemical Physics. 126: 074105. PMID 17328591 DOI: 10.1063/1.2434957  0.313
2007 van Zon R, Schofield J. Numerical implementation of the exact dynamics of free rigid bodies Journal of Computational Physics. 225: 145-164. DOI: 10.1016/J.Jcp.2006.11.019  0.308
2005 van Zon R, Schofield J. Mode-coupling theory for multiple-time correlation functions of tagged particle densities and dynamical filters designed for glassy systems. The Journal of Physical Chemistry. B. 109: 21425-36. PMID 16853780 DOI: 10.1021/Jp052234G  0.379
2005 van Zon R, Schofield J. Glassy dynamics and domains: explicit results for the East model. The Journal of Chemical Physics. 122: 194502. PMID 16161592 DOI: 10.1063/1.1897372  0.308
2005 Schofield J. Quantum effects in ab-initio calculations of rate constants for chemical reactions occuring in the condensed phase Theoretical Chemistry Accounts. 116: 18-30. DOI: 10.1007/S00214-005-0017-9  0.399
2004 Plyukhin AV, Schofield J. Langevin equation for the extended Rayleigh model with an asymmetric bath. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 69: 021112. PMID 14995432 DOI: 10.1103/Physreve.69.021112  0.323
2003 Plyukhin AV, Schofield J. Langevin equation for the Rayleigh model with finite-range interactions. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 68: 041107. PMID 14682923 DOI: 10.1103/Physreve.68.041107  0.325
2003 Iftimie R, Salahub D, Schofield J. An efficient Monte Carlo method for calculating ab initio transition state theory reaction rates in solution Journal of Chemical Physics. 119: 11285-11297. DOI: 10.1063/1.1622653  0.699
2002 Marcus AH, Schofield J, Rice SA. Experimental observations of non-Gaussian behavior and stringlike cooperative dynamics in concentrated quasi-two-dimensional colloidal liquids. Physical Review. E, Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 60: 5725-36. PMID 11970468 DOI: 10.1103/Physreve.60.5725  0.641
2002 Plyukhin AV, Schofield J. Trapping, reflection, and fragmentation in a classical model of atom-lattice collisions. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 65: 026603. PMID 11863674 DOI: 10.1103/Physreve.65.026603  0.316
2002 van Zon R, Schofield J. Multiple-point and multiple-time correlation functions in a hard-sphere fluid. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 65: 011107. PMID 11800677 DOI: 10.1103/Physreve.65.011107  0.372
2002 van Zon R, Schofield J. Mode-coupling theory for multiple-point and multiple-time correlation functions. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 65: 011106. PMID 11800676 DOI: 10.1103/Physreve.65.011106  0.373
2002 Wan C, Schofield J. Solutions of mixed quantum-classical dynamics in multiple dimensions using classical trajectories The Journal of Chemical Physics. 116: 494-506. DOI: 10.1063/1.1425835  0.376
2002 Iftimie R, Schofield J. Separation of quantum and classical behavior in proton transfer reactions: Implications from studies of secondary kinetic isotope effects International Journal of Quantum Chemistry. 91: 404-413. DOI: 10.1002/Qua.10392  0.707
2001 Plyukhin AV, Schofield J. Stochastic dynamics with a mesoscopic bath. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 64: 041103. PMID 11690006 DOI: 10.1103/Physreve.64.041103  0.333
2001 Plyukhin AV, Schofield J. Stochastic model related to the Klein-Gordon equation. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 64: 037101. PMID 11580480 DOI: 10.1103/Physreve.64.037101  0.34
2001 Opps SB, Schofield J. Extended state-space Monte Carlo methods. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 63: 056701. PMID 11415039 DOI: 10.1103/Physreve.63.056701  0.342
2001 Iftimie R, Schofield J. Reaction mechanism and isotope effects derived from centroid transition state theory in intramolecular proton transfer reactions The Journal of Chemical Physics. 115: 5891-5902. DOI: 10.1063/1.1399060  0.709
2001 Iftimie R, Schofield J. Efficient ab initio sampling methods in rate constant calculations for proton-transfer reactions The Journal of Chemical Physics. 114: 6763-6773. DOI: 10.1063/1.1357793  0.713
2000 Marcus AH, Schofield J, Rice S. Erratum: Experimental observations of non-Gaussian behavior and stringlike cooperative dynamics in concentrated quasi-two-dimensional colloidal liquids [Phys. Rev. E60, 5725 (1999)] Physical Review E. 61: 7260-7260. DOI: 10.1103/Physreve.61.7260  0.61
2000 Wan C, Schofield J. Exact and asymptotic solutions of the mixed quantum-classical Liouville equation The Journal of Chemical Physics. 112: 4447-4459. DOI: 10.1063/1.481007  0.381
2000 Wan C, Schofield J. Mixed quantum-classical molecular dynamics: Aspects of the multithreads algorithm The Journal of Chemical Physics. 113: 7047-7054. DOI: 10.1063/1.1313525  0.362
2000 Iftimie R, Salahub D, Wei D, Schofield J. Using a classical potential as an efficient importance function for sampling from an ab initio potential Journal of Chemical Physics. 113: 4852-4862. DOI: 10.1063/1.1289534  0.705
1998 Schofield J, Ratner MA. Monte Carlo methods for short polypeptides The Journal of Chemical Physics. 109: 9177-9191. DOI: 10.1063/1.477471  0.468
1996 Schofield J, Marcus AH, Rice SA. Dynamics of Quasi Two-Dimensional Colloidal Systems The Journal of Physical Chemistry. 100: 18950-18961. DOI: 10.1021/Jp961171M  0.646
1995 Schofield J, Rice SA. Backbone ordering in amphiphile monolayers The Journal of Chemical Physics. 103: 5792-5801. DOI: 10.1063/1.470460  0.442
1994 Schofield J, Oppenheim I. Mode coupling in nonequilibrium granular flow systems Physica a: Statistical Mechanics and Its Applications. 204: 555-605. DOI: 10.1016/0378-4371(94)90448-0  0.521
1993 Schofield J, Oppenheim I. The hydrodynamics of inelastic granular systems Physica a: Statistical Mechanics and Its Applications. 196: 209-240. DOI: 10.1016/0378-4371(93)90601-Y  0.517
1992 Schofield J, Oppenheim I. Mode coupling and tagged particle correlation functions: the Stokes-Einstein law Physica a: Statistical Mechanics and Its Applications. 187: 210-242. DOI: 10.1016/0378-4371(92)90419-Q  0.526
1992 Schofield J, Lim R, Oppenheim I. Mode coupling and generalized hydrodynamics Physica a: Statistical Mechanics and Its Applications. 181: 89-135. DOI: 10.1016/0378-4371(92)90198-Y  0.505
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