Publicacións en colaboración con investigadores/as de Stanford University (18)

2023

  1. Magnitude, Trends, and Variability of the Global Ocean Carbon Sink From 1985 to 2018

    Global Biogeochemical Cycles, Vol. 37, Núm. 10

2020

  1. Preface

    Communications in Computer and Information Science

2019

  1. Spin-Forbidden Channels in Reactions of Unsaturated Hydrocarbons with O( 3 P)

    Journal of Physical Chemistry A, Vol. 123, Núm. 2, pp. 482-491

  2. Anharmonic Molecular Mechanics: Ab Initio Based Morse Parametrizations for the Popular MM3 Force Field

    Journal of Physical Chemistry A, Vol. 123, Núm. 13, pp. 2991-2999

  3. State of the climate in 2018

    Bulletin of the American Meteorological Society, Vol. 100, Núm. 9, pp. SI-S305

2018

  1. A Simple "boxed Molecular Kinetics" Approach to Accelerate Rare Events in the Stochastic Kinetic Master Equation

    Journal of Physical Chemistry A, Vol. 122, Núm. 6, pp. 1531-1541

  2. Adaptively Accelerating Reactive Molecular Dynamics Using Boxed Molecular Dynamics in Energy Space

    Journal of Chemical Theory and Computation, Vol. 14, Núm. 9, pp. 4541-4552

2017

  1. Atomistic non-adiabatic dynamics of the LH2 complex with a GPU-accelerated: Ab initio exciton model

    Physical Chemistry Chemical Physics, Vol. 19, Núm. 23, pp. 14924-14936

  2. Reaction and relaxation at surface hotspots: Using molecular dynamics and the energy-grained master equation to describe diamond etching

    Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 375, Núm. 2092

2015

  1. Nano simbox: An OpenCL-accelerated framework for interactive molecular dynamics

    ACM International Conference Proceeding Series

  2. Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD3CN treated with a parallel multi-state EVB model

    Journal of Chemical Physics, Vol. 143, Núm. 4

  3. Prediction of enhanced solvent-induced enantioselectivity for a ring opening with a bifurcating reaction path

    Physical Chemistry Chemical Physics, Vol. 17, Núm. 13, pp. 8372-8381

  4. Theoretical Chemical Kinetics in Tropospheric Chemistry: Methodologies and Applications

    Chemical Reviews, Vol. 115, Núm. 10, pp. 4063-4114

  5. Vibrational relaxation and microsolvation of df after f-atom reactions in polar solvents

    Science, Vol. 347, Núm. 6221, pp. 530-533

2014

  1. A GPU-accelerated immersive audio-visual framework for interaction with molecular dynamics using consumer depth sensors

    Faraday Discussions, Vol. 169, pp. 63-87

  2. Ab initio nonadiabatic dynamics of multichromophore complexes: A scalable graphical-processing-unit-accelerated exciton framework

    Accounts of Chemical Research, Vol. 47, Núm. 9, pp. 2857-2866

  3. Molecular simulations and visualization: Introduction and overview

    Faraday Discussions, Vol. 169, pp. 9-22

  4. Recent applications of boxed molecular dynamics: A simple multiscale technique for atomistic simulations

    Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences, Vol. 372, Núm. 2021