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Strong Anisotropy in Liquid Water Upon Librational Excitation Using Terahertz Laser Fields

F. Novelli, L. Ruiz Pestana, K.C. Bennett, F. Sebastiani, E.M. Adams, N. Stavrias, T. Ockelmann, A. Colchero, C. Hoberg, G. Schwaab, T. Head-Gordon, and M. Havenith

The Journal of Physical Chemistry B, in press

Trials and Tribulations of a "Rookie" Assistant Professor

L. Ruiz Pestana

Matter, 2 (3), 511-513


Diels-Alder Reactions in Water Are Determined by Microsolvation

L. Ruiz Pestana, H. Hao, T. Head-Gordon

Nano Letters, 20 (1), 606-611


Computational optimization of electric fields for better catalysis design

V.V. Welborn, L. Ruiz Pestana, T. Head-Gordon

Nature Catalysis, 1, 649-655

The Quest for Accurate Liquid Water Properties from First Principles

L. Ruiz Pestana, O. Marsalek, T.E. Markland, T. Head-Gordon

The journal of physical chemistry letters, 9 (17), 5009-5016

A structural coarse-grained model for clays using simple iterative Boltzmann inversion

K. Schaettle, L. Ruiz Pestana, T. Head-Gordon, L.N. Lammers

The Journal of chemical physics, 148 (22), 222809


Coexistence of Multilayered Phases of Confined Water: The Importance of Flexible Confining Surfaces

L. Ruiz Pestana, L.E. Felberg, T. Head-Gordon

ACS Nano, 12 (1), 448-454


Dynamical inversion of the energy landscape promotes non-equilibrium self-assembly of binary mixtures

L. Ruiz Pestana, N. Minnetian, L.N. Lammers, T. Head-Gordon

Chemical science, 9 (6), 1640-1646​


A coarse-grained model for the mechanical behavior of graphene oxide

Z. Meng, R.A. Soler-Crespo, W. Xia, W. Gao, L. Ruiz Pestana, H.D. Espinosa, S. Keten

Carbon, 117, 476-487


Ab initio molecular dynamics simulations of liquid water using high-quality meta-GGA functionals

L. Ruiz Pestana, N. Mardirossian, M. Head-Gordon, T. Head-Gordon

Chemical Science, 8 (5), 3554-3565​


Direct exchange mechanism for interlayer ions in non-swelling clays

L. Ruiz Pestana, K. Kolluri, T. Head-Gordon, L.N. Lammers

Environmental Science & Technology, 51 (1), 393-400


Use of the rVV10 nonlocal correlation functional in the B97M-V density functional: defining B97M-rV and related functionals

N. Mardirossian, L. Ruiz Pestana, J.C. Womack, C.K. Skylaris, T. Head-Gordon, M. Head-Gordon

The journal of physical chemistry letters, 8 (1), 35-40


Recoverable slippage mechanism in multilayer graphene leads to repeatable energy dissipation

X. Wei, Z. Meng, L. Ruiz Pestana, W. Xia, C.Lee, J.W. Kysar, J.C. Hone, S. Keten, H.D. Espinosa

ACS Nano, 10 (2), 1820-1828


Critical length scales and strain localization govern the mechanical performance of multi-layer graphene assemblies

W. Xia, L. Ruiz Pestana, N.M. Pugno, S Keten

Nanoscale, 8 (12), 6456-6462


Regulating ion transport in peptide nanotubes by tailoring the nanotube lumen chemistry

L. Ruiz Pestana, A. Benjamin, M. Sullivan, S. Keten

The journal of physical chemistry letters, 6 (9), 1514-1520


A coarse-grained model for the mechanical behavior of multi-layer graphene

L. Ruiz Pestana, W. Xia, Z. Meng, S. Keten

Carbon, 82, 103-115


Tailoring the water structure and transport in nanotubes with tunable interiors

L. Ruiz Pestana, Y. Wu, S. Keten

Nanoscale, 7 (1), 121-132


Thermodynamics versus kinetics dichotomy in the linear self-assembly of mixed nanoblocks

L. Ruiz Pestana, S. Keten

The journal of physical chemistry letters, 5 (11), 2021-2026


Directing the self-assembly of supra-biomolecular nanotubes using entropic forces

L. Ruiz Pestana, S. Keten

Soft Matter, 10 (6), 851-861


Dimensions of biological cellulose nanocrystals maximize fracture strength

R. Sinko, S. Mishra, L. Ruiz Pestana, N. Brandis, S. Keten

ACS Macro Letters, 3 (1), 64-69


Persistence length and stochastic fragmentation of supramolecular nanotubes under mechanical force

L. Ruiz Pestana, P. VonAchen, T.D. Lazzara, T. Xu, S. Keten

Nanotechnology, 24 (19), 195103


Processable cyclic peptide nanotubes with tunable interiors

R. Hourani, C. Zhang, R. Van Der Weegen, L. Ruiz Pestana, C. Li, S. Keten, B.A. Helms, T. Xu

Journal of the American Chemical Society, 133 (39), 15296-15299

Atomistic modeling and mechanics of self-assembled organic nanotubes

L. Ruiz Pestana, S. Keten

International Journal of Applied Mechanics, 3 (04), 667-684