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E. Dybeck · SciRah

Researcher profile · Semantic Scholar

E. Dybeck

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E. Dybeck — researcher profile on SciRah

h-index: 11
Works: 17
Citations: 450

Most-cited papers

Generalized Temporal Acceleration Scheme for Kinetic Monte Carlo Simulations of Surface Catalytic Processes by Scaling the Rates of Fast Reactions.
E. Dybeck, Craig P. Plaisance, M. Neurock
2017Journal of Chemical Theory and Computation80 citations
Semantic Scholar
Preferential activation of CO near hydrocarbon chains during Fischer–Tropsch synthesis on Ru
D. Hibbitts, E. Dybeck, T. Lawlor, M. Neurock +1 more
201665 citations Open access
Semantic Scholar
Capturing Entropic Contributions to Temperature-Mediated Polymorphic Transformations Through Molecular Modeling
E. Dybeck, Nathan S. Abraham, Natalie P. Schieber, M. Shirts
201751 citations
Semantic Scholar
Prediction of the Relative Free Energies of Drug Polymorphs above Zero Kelvin
Ming-Jun Yang, E. Dybeck, Guang-Xu Sun, C. Peng +12 more
2020Crystal Growth & Design47 citations Open access
Semantic Scholar
A Comparison of Methods to Reweight from Classical Molecular Simulations to QM/MM Potentials
E. Dybeck, G. König, B. Brooks, M. Shirts
2016Journal of Chemical Theory and Computation47 citations Open access
Semantic Scholar
Broadening the Scope of Binding Free Energy Calculations Using a Separated Topologies Approach
Hannah Baumann, E. Dybeck, Christopher L. McClendon, Frank C. Pickard +6 more
2023Journal of Chemical Theory and Computation41 citations Open access
Semantic Scholar
Effects of a More Accurate Polarizable Hamiltonian on Polymorph Free Energies Computed Efficiently by Reweighting Point-Charge Potentials.
E. Dybeck, Natalie P. Schieber, M. Shirts
2016Journal of Chemical Theory and Computation29 citations Open access
Semantic Scholar
Exploring the Multi-minima Behavior of Small Molecule Crystal Polymorphs at Finite Temperature
E. Dybeck, D. McMahon, G. Day, M. Shirts
2019Crystal Growth & Design28 citations Open access
Semantic Scholar
Using reweighting and free energy surface interpolation to predict solid-solid phase diagrams.
Natalie P. Schieber, E. Dybeck, M. Shirts
2017Journal of Chemical Physics25 citations Open access
Semantic Scholar
Noncovalent Host-Guest Complexes of Artemisinin with α-, β-, and γ- Cyclodextrin Examined by Structural Mass Spectrometry Strategies.
Emanuel Zlibut, Jody C. May, Yan-Sheng Wei, Dennis Gessmann +7 more
2023Analytical Chemistry14 citations
Semantic Scholar
A Comparison of Methods for Computing Relative Anhydrous–Hydrate Stability with Molecular Simulation
E. Dybeck, Andrew C Thiel, M. Schnieders, Frank C. Pickard +3 more
2022Crystal Growth & Design14 citations
Semantic Scholar
Ion Mobility-Mass Spectrometry Strategies to Elucidate the Anhydrous Structure of Noncovalent Guest/Host Complexes
Jody C. May, Emanuel Zlibut, Benjamin K Blakley, Constance S Wood +7 more
2024Analytical Chemistry9 citations Open access
Semantic Scholar
Structure-Based Prediction of Reversed-Phase Liquid Chromatography Retention Time Using Machine-Learning Models Built from Miniature Datasets
Jane Kawakami, Md. Rakibul Hasan Khan, Yi-Zhou Liu, E. Dybeck +5 more
2026Analytica Chimica Acta0 citations Open access
Semantic Scholar
Effects of temperature and entropy in small molecule crystal structure prediction
E. Dybeck
20180 citations Open access
Semantic Scholar
C-C bond formation during fischer-tropsch synthesis on Ru and Co catalysts
D. Hibbitts, T. Lawlor, E. Dybeck, M. Neurock +1 more
20140 citations
Semantic Scholar
First-principles based kinetic Monte Carlo simulation of catalytic systems over metal particles
E. Dybeck, M. Neurock
20140 citations
Semantic Scholar
PERSPECTIVE The Fischer-Tropsch synthesis: A few enduring mechanistic conundrums revisited
E. Iglesia, D. Hibbitts, M. Ojeda, S. Krishnamoorthy +14 more
0 citations
Semantic Scholar

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