PUBLICATIONS

For an up to date list of publications and citation metrics visit Google Scholar 

2020

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

2019

Diels-Alder Reactions in Water Are Determined by Microsolvation

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

Nano Letters, 20 (1), 606-611

2018

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​

2017

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​

2016

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

2015

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

2014

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

2013

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

2011

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