High-energy ion impacts into the sulfur-bearing ice surface of Europa: an atomistic study of chemical transformations

First principles simulation of damage to solvated nucleotides due to shock waves

(2019) Alberto Fraile et al.   JOURNAL OF CHEMICAL PHYSICS

Synthesis of (d)-erythrose from glycolaldehyde aqueous solutions under electric field

(2018) Giuseppe Cassone et al.   CHEMICAL COMMUNICATIONS

Energetic sulfur ion impacts into cometary ice surfaces: a molecular dynamics study

(2018) Christian Anders et al.   MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

Solar wind ion impacts into ice surfaces: A molecular-dynamics study using the REAX force field

(2017) Christian Anders et al.   ICARUS

Modification of ices by cosmic rays and solar wind

(2017) Hermann Rothard et al.   JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS

Impact of energetic cosmic-ray ions on astrophysical ice grains

(2017) Martin Mainitz et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

Thermal and energetic processing of astrophysical ice analogues rich in SO2

(2017) Z. Kaňuchová et al.   ASTRONOMY & ASTROPHYSICS

Water radiolysis by low-energy carbon projectiles from first-principles molecular dynamics

(2017) Jorge Kohanoff et al.   PLoS One

Irradiation of astrophysical ice grains by cosmic-ray ions: a REAX simulation study

(2016) Martin Mainitz et al.   ASTRONOMY & ASTROPHYSICS

Ion processing of ices and the origin of SO2 and O3 on the icy surfaces of the icy jovian satellites

(2016) P. Boduch et al.   ICARUS

Simulation of Gold Functionalization with Cysteine by Reactive Molecular Dynamics

(2016) Susanna Monti et al.   Journal of Physical Chemistry Letters

Irradiation of astrophysical ice grains by cosmic-ray ions: a REAX simulation study

(2016) Martin Mainitz et al.   ASTRONOMY & ASTROPHYSICS

The ReaxFF reactive force-field: development, applications and future directions

(2016) Thomas P Senftle et al.   npj Computational Materials

Formamide reaction network in gas phase and solution via a unified theoretical approach: Toward a reconciliation of different prebiotic scenarios

(2015) Fabio Pietrucci et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Magnetospheric Science Objectives of the Juno Mission

(2014) F. Bagenal et al.   SPACE SCIENCE REVIEWS

Sulfur implantation in CO and CO2 ices

(2013) X. Y. Lv et al.   MONTHLY NOTICES OF THE ROYAL ASTRONOMICAL SOCIETY

Shock synthesis of amino acids from impacting cometary and icy planet surface analogues

(2013) Zita Martins et al.   Nature Geoscience

Complementary and Emerging Techniques for Astrophysical Ices Processed in the Laboratory

(2013) M. A. Allodi et al.   SPACE SCIENCE REVIEWS

Molecular dynamics simulations of the interactions between TiO2 nanoparticles and water with Na+ and Cl−, methanol, and formic acid using a reactive force field

(2012) Sung-Yup Kim et al.   JOURNAL OF MATERIALS RESEARCH

Exploration of the Conformational and Reactive Dynamics of Glycine and Diglycine on TiO2: Computational Investigations in the Gas Phase and in Solution

(2012) Susanna Monti et al.   Journal of Physical Chemistry C

Impacts into cosmic ice surfaces: A molecular-dynamics study using the Reax force field

(2012) Christian Anders et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

JUpiter ICy moons Explorer (JUICE): An ESA mission to orbit Ganymede and to characterise the Jupiter system

(2012) O. Grasset et al.   PLANETARY AND SPACE SCIENCE

Sulfur depletion in dense clouds and circumstellar regions

(2011) A. Jiménez-Escobar et al.   ASTRONOMY & ASTROPHYSICS

SRIM – The stopping and range of ions in matter (2010)

(2010) James F. Ziegler et al.   NUCLEAR INSTRUMENTS & METHODS IN PHYSICS RESEARCH SECTION B-BEAM INTERACTIONS WITH MATERIALS AND ATOMS

PACKMOL: A package for building initial configurations for molecular dynamics simulations

(2009) L. Martínez et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

ReaxFF Reactive Force Field for Molecular Dynamics Simulations of Hydrocarbon Oxidation

(2008) Kimberly Chenoweth et al.   JOURNAL OF PHYSICAL CHEMISTRY A