591 citations · 1.1k across the 10 of their papers we have counts for
10 papers
Growth Model Interpretation of Planet Size Distribution
Li Zeng, Stein B. Jacobsen, Dimitar D. Sasselov +13
The radii and orbital periods of 4000+ confirmed/candidate exoplanets have been precisely measured by the Kepler mission. The radii show a bimodal distribution, with two peaks corr…
Towards a systematically improvable many-body description of antiferromagnetic iron oxide
Joshua P Townsend, Raymond C Clay, Thomas R Mattsson +5
We report variational and fixed-node diffusion quantum Monte Carlo (QMC) calculations of anti-ferromagnetic iron oxide (FeO) in the ground state B1 crystal structure. The goal of t…
Shock Response and Phase Transitions of MgO at Planetary Impact Conditions
Seth Root, Luke Shulenburger, Raymond W. Lemke +3
The moon-forming impact and the subsequent evolution of the proto-Earth is strongly dependent on the properties of materials at the extreme conditions generated by this violent col…
Beyond chemical accuracy: The pseudopotential approximation in diffusion Monte Carlo calculations of the HCP to BCC phase transition in beryllium
Luke Shulenburger, Thomas R. Mattsson, M. P. Desjarlais
Motivated by the disagreement between recent diffusion Monte Carlo calculations and experiments on the phase transition pressure between the ambient and beta-Sn phases of silicon,…
Ethane-xenon mixtures under shock conditions
Rudolph J. Magyar, Seth Root, Kyle Cochrane +2
Mixtures of light elements with heavy elements are important in inertial confinement fusion and planetary science. We explore the physics of molecular scale mixing through a valida…
Quantum Monte Carlo applied to solids
Luke Shulenburger, Thomas R. Mattsson
We apply diffusion quantum Monte Carlo (DMC) to a broad set of solids, benchmarking the method by comparing bulk structural properties (equilibrium volume and bulk modulus) to expe…
Probing the interiors of the ice giants: Shock compression of water to 700 GPa and 3.8 g/ccm
M. D. Knudson, M. P. Desjarlais, R. W. Lemke +4
Recently there has been tremendous increase in the number of identified extra-solar planetary systems. Our understanding of their formation is tied to exoplanet internal structure…
QSGW calculation of the work functions of Al(111) and Al(100) surfaces
Sergey V. Faleev, Oleg N. Mryasov, Thomas R. Mattsson
Modifications to the quasiparticle self-consistent GW (QSGW) method needed to correctly describe metal/vacuum interfaces and other systems having extended regions with small electr…
On "the complete basis set limit" and plane-wave methods in first-principles simulations of water
Susan B. Rempe, Thomas R. Mattsson, Kevin Leung
Water structure, measured by the height of the first peak in oxygen-oxygen radial distributions, is converged with respect to plane-wave basis energy cutoffs for ab initio molecula…
Quantum molecular dynamics simulations for the nonmetal-to-metal transition in fluid helium
Andre Kietzmann, Bastian Holst, Ronald Redmer +2
We have performed quantum molecular dynamics simulations for dense helium to study the nonmetal-to-metal transition at high pressures. We present new results for the equation of st…