Mark E. Tuckerman
1990–2026 年に発表
- 175
- 論文数
- 32,935
- 被引用数
- 56
- h 指数
- 72
- i10 指数
被引用数
引用元
国・地域
機関
分野
- Biochemistry, Genetics and Molecular Biology23.8%
- Materials Science17%
- Physics and Astronomy16.8%
- Computer Science10.7%
- Engineering7.9%
- Chemistry6.3%
- その他17.5%
トピック
- Protein Structure and Dynamics8.2%
- Spectroscopy and Quantum Chemical Studies6.5%
- Computational Drug Discovery Methods5.2%
- Machine Learning in Materials Science5.1%
- Advanced Chemical Physics Studies3.4%
- Enzyme Structure and Function1.5%
- その他70.1%
共著者
- Glenn Martyna113
- Laxmikant V. Kalé100
- Eric J. Bohm99
- Anthony P Craig98
- Bradford L. Chamberlain98
- Bruce Hendrickson98
- Charles E. Leiserson98
- Cédric Bastoul98
- Daniel P. Siewiorek98
- Dhabaleswar K. Panda98
- Edward F. Gehringer98
- Geoffrey Fox98
- Guy L. Steele98
- H. Peter Hofstee98
- Hari Subramoni98
- JesperLarsson Träff98
- Josep Torrellas98
- Krishna Kandalla98
- Mariana Vertenstein98
- Martin Schulz98
- Matthew Sottile98
- Patrick H Worley98
- Pen-Chung Yew98
- Pritish Jetley98
全論文
- Deep Eutectic Solvents: A Review of Fundamentals and Applications
著者: Benworth Hansen, Stephanie Spittle, Brian Chen, Derrick Poe, Yong Zhang, Jeffrey M. Klein, Alexandre Horton, Laxmi Adhikari, Tamar Zelovich, Brian Doherty, Burcu Gurkan, Edward J. Maginn, Arthur J. Ragauskas, Mark Dadmun, Thomas A. Zawodzinski, Gary A. Baker, Mark E. Tuckerman, Robert F. Savinell, Joshua Sangoro - Chemical Reviews 2020 被引用: 3,186
- Nosé–Hoover chains: The canonical ensemble via continuous dynamics
著者: Glenn Martyna, Michael L. Klein, Mark E. Tuckerman - The Journal of Chemical Physics 1992 被引用: 5,773
- Reversible multiple time scale molecular dynamics
著者: Mark E. Tuckerman, B. J. Berne, Glenn Martyna - The Journal of Chemical Physics 1992 被引用: 3,605
- Bypassing the Kohn-Sham Equations with Machine Learning
著者: Felix Brockherde, Leslie Vogt, Li Li, Mark E. Tuckerman, Kieron Burke, Klaus-Robert Müller - Nature Communications 2017 被引用: 630
- Quantum chemical accuracy from density functional approximations via machine learning
著者: Mihail Bogojeski, Leslie Vogt-Maranto, Mark E. Tuckerman, Klaus‐Robert Müller, Kieron Burke - Nature Communications 2020 被引用: 361
- Explicit reversible integrators for extended systems dynamics
著者: Glenn Martyna, Mark E. Tuckerman, Douglas J. Tobias, Michael L. Klein - Molecular Physics 1996 被引用: 1,809
- Statistical Mechanics: Theory and Molecular Simulation
著者: Mark E. Tuckerman - 2023 被引用: 1,031
- Ab initio molecular dynamics: Concepts, recent developments, and future trends
著者: Radu Iftimie, Péter Mináry, Mark E. Tuckerman - National Academy of Sciences, Proceedings of the National Academy of Sciences 2005 被引用: 442
- Report on the sixth blind test of organic crystal structure prediction methods
著者: Anthony M. Reilly, Richard I. Cooper, Claire S. Adjiman, Saswata Bhattacharya, A. Daniel Boese, Jan Gerit Brandenburg, Peter J. Bygrave, Rita Bylsma, Josh E. Campbell, Roberto Car, David H. Case, Renu Chadha, Jason C. Cole, Katherine Cosburn, H. M. Cuppen, Farren Curtis, Graeme M. Day, Robert A. DiStasio, Alexander Dzyabchenko, Bouke P. van Eijck, Dennis M. Elking, Joost A. van den Ende, Julio C. Facelli, Marta B. Ferraro, László Füsti-Molnár, Christina-Anna Gatsiou, Thomas S. Gee, R. De Gelder, Luca M. Ghiringhelli, Midori Goto, Stefan Grimme, Rui Guo, Detlef W. M. Hofmann, Johannes Hoja, Rebecca K. Hylton, Luca Iuzzolino, Wojciech K. Jankiewicz, Daniël T. De Jong, John Kendrick, Niek J. J. de Klerk, Hsin-Yu Ko, L. N. Kuleshova, Xiayue Li, Sanjaya Lohani, Frank J. J. Leusen, Albert M. Lund, Jian Lv, Yanming Ma, Noa Marom, Artëm E. Masunov, Patrick McCabe, David P. McMahon, Hugo Meekes, Michael P. Metz, Alston J. Misquitta, Sharmarke Mohamed, Bartomeu Monserrat, R. J. Needs, Marcus A. Neumann, Jonas Nyman, Shigeaki Obata, Harald Oberhofer, Artem R. Oganov, Anita M. Orendt, Gabriel I. Pagola, Constantinos C. Pantelides, Chris J. Pickard, Rafał Podeszwa, Louise S. Price, Sarah L. Price, Angeles Pulido, Murray G. Read, Karsten Reuter, Elia Schneider, Christoph Schober, G.P. Shields, Pawanpreet Singh, Isaac J. Sugden, Krzysztof Szalewicz, Christopher R. Taylor, Alexandre Tkatchenko, Mark E. Tuckerman, Francesca Vacarro, Manolis Vasileiadis, Álvaro Vázquez‐Mayagoitia, Leslie Vogt-Maranto, Yanchao Wang, Rona E. Watson, G. A. de Wijs, Jack Yang, Qiang Zhu, Colin R. Groom - Acta Crystallographica Section B Structural Science Crystal Engineering and Materials 2016 被引用: 605
- The nature of the hydrated excess proton in water
著者: Dominik Marx, Mark E. Tuckerman, Jürg Hutter, Michele Parrinello - Nature 1999 被引用: 1,909
- A reciprocal space based method for treating long range interactions in ab initio and force-field-based calculations in clusters
著者: Glenn Martyna, Mark E. Tuckerman - The Journal of Chemical Physics 1999 被引用: 682
- A Liouville-operator derived measure-preserving integrator for molecular dynamics simulations in the isothermal–isobaric ensemble
著者: Mark E. Tuckerman, José Alejandre, Roberto López-Rendón, Andrea L. Jochim, Glenn Martyna - Journal of Physics A Mathematical and General 2006 被引用: 664
- On the use of the adiabatic molecular dynamics technique in the calculation of free energy profiles
著者: Lula Rosso, Péter Mináry, Zhongwei Zhu, Mark E. Tuckerman - The Journal of Chemical Physics 2002 被引用: 267
- Understanding Modern Molecular Dynamics: Techniques and Applications
著者: Mark E. Tuckerman, Glenn Martyna - The Journal of Physical Chemistry B 1999 被引用: 416
- Efficient and Direct Generation of Multidimensional Free Energy Surfaces via Adiabatic Dynamics without Coordinate Transformations
著者: Jerry B. Abrams, Mark E. Tuckerman - The Journal of Physical Chemistry B 2008 被引用: 225
- On the Quantum Nature of the Shared Proton in Hydrogen Bonds
著者: Mark E. Tuckerman, Dominik Marx, Michael L. Klein, Michele Parrinello - Science 1997 被引用: 743
- Neural-Network-Based Path Collective Variables for Enhanced Sampling of Phase Transformations
著者: Jutta Rogal, Elia Schneider, Mark E. Tuckerman - Physical Review Letters 2019 被引用: 102
- Molecular simulations: past, present, and future (a Topical Issue in EPJB)
著者: Giovanni Ciccotti, Christoph Dellago, Mauro Ferrario, Eduardo Hernández, Mark E. Tuckerman - The European Physical Journal B 2022 被引用: 57
- Ab Initio Molecular Dynamics Simulation of the Solvation and Transport of H3O+ and OH- Ions in Water
著者: Mark E. Tuckerman, Kari Laasonen, Michiel Sprik, Michele Parrinello - The Journal of Physical Chemistry 1995 被引用: 619
- The mechanism of proton conduction in phosphoric acid
著者: Linas Vilčiauskas, Mark E. Tuckerman, Gabriel Bester, Stephen J. Paddison, Klaus‐Dieter Kreuer - Nature Chemistry 2012 被引用: 578
- Heating and flooding: A unified approach for rapid generation of free energy surfaces
著者: Ming Chen, Michel A. Cuendet, Mark E. Tuckerman - The Journal of Chemical Physics 2012 被引用: 111
- An exploration of machine learning models for the determination of reaction coordinates associated with conformational transitions
著者: Nawavi Naleem, Charlles R. A. Abreu, Krzysztof Warmuz, Muchen Tong, Serdal Kırmızıaltın, Mark E. Tuckerman - The Journal of Chemical Physics 2023 被引用: 20
- The nature and transport mechanism of hydrated hydroxide ions in aqueous solution
著者: Mark E. Tuckerman, Dominik Marx, Michele Parrinello - Nature 2002 被引用: 1,086
- Aqueous Basic Solutions: Hydroxide Solvation, Structural Diffusion, and Comparison to the Hydrated Proton
著者: Dominik Marx, Amalendu Chandra, Mark E. Tuckerman - Chemical Reviews 2010 被引用: 521
