Michael Klein - Selected Publications#


According to Google Scholar Klein ’s portfolio of publications has a total of 77,000 citations and carries a Hirsch Index, h = 110. There are more than 630 publications, each with at least 10 citations:
https://scholar.google.com/citations?hl=en&user=56ar4-cAAAAJ&view_op=list_works&sortby=pubdate


[1] Comparison of simple potential functions for simulating liquid water
WL Jorgensen, J Chandrasekhar, JD Madura, RW Impey, ML Klein
The Journal of Chemical Physics 79 (2), 926-935 (1983); Cited >23,000 times

[2] Constant pressure molecular dynamics for molecular systems
S Nosé, ML Klein
Molecular Physics 50 (5), 1055-1076 (1983); Cited >1800 times

[3] Nosé–Hoover chains: the canonical ensemble via continuous dynamics
GJ Martyna, ML Klein, M Tuckerman
The Journal of Chemical Physics 97 (4), 2635-2643 (1992); Cited 2400 times

[4] Constant pressure molecular dynamics algorithms
GJ Martyna, DJ Tobias, ML Klein
The Journal of Chemical Physics 101 (5), 4177-4189 (1994); Cited >2400 times

[5] Explicit reversible integrators for extended systems dynamics
GJ Martyna, ME Tuckerman, DJ Tobias, ML Klein
Molecular Physics 87 (5), 1117-1157 (1996); Cited 1480 times

[6] Large-scale molecular dynamics simulations of self-assembling systems
ML Klein, W Shinoda Science 321 (5890), 798-800 (2008)

[7] Exploring multidimensional free energy landscapes using time-dependent biases on collective variables J Henin, G Fiorin, C Chipot, ML Klein
Journal of Chemical Theory and Computation 6 (1), 35-47 (2009)

[8] Structure, dynamics, and spectral diffusion of water from first-principles molecular dynamics A Bankura, A Karmakar, V Carnevale, A Chandra, ML Klein
The Journal of Physical Chemistry C 118 (50), 29401-29411 (2014)

[9] Accurate first-principles structures and energies of diversely bonded systems from an efficient density functional J Sun, RC Remsing, Y Zhang, Z Sun, A Ruzsinszky, H Peng, Z Yang, A Paul, U Waghmare, X Wu, ML Klein, JP Perdew Nature Chemistry 8 (9), 831 (2016)

[10] Ab initio theory and modeling of water M Chen, HY Ko, RC Remsing, MFC Andrade, B Santra, Z Sun, A Selloni, R Car, ML Klein, JP Perdew, X Wu Proceedings of the National Academy of Sciences USA 114 (41), 10846-10851 (2017)

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