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David P Landau

Explore the profile of David P Landau including associated specialties, affiliations and a list of published articles. Areas
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Articles 23
Citations 65
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Recent Articles
1.
Mudrick M, Eisenbach M, Perera D, Landau D
J Chem Phys . 2025 Feb; 162(5). PMID: 39907136
Utilizing an atomistic computational model, which handles both translational and spin degrees of freedom, combined molecular and spin dynamics simulations have been performed to investigate the effect of vacancy defects...
2.
Gamage S, Manna S, Zajac M, Hancock S, Wang Q, Singh S, et al.
ACS Nano . 2024 Jan; 18(3):2105-2116. PMID: 38198599
Solid-state devices made from correlated oxides, such as perovskite nickelates, are promising for neuromorphic computing by mimicking biological synaptic function. However, comprehending dopant action at the nanoscale poses a formidable...
3.
Bull R, Farris A, Landau D
J Chem Phys . 2023 Sep; 159(10). PMID: 37698198
Synthetic multiblock copolymers are an interesting class of polymeric chains and have emerged as promising materials to mimic the function of complex biomolecules. In this work, we use Wang-Landau sampling...
4.
Wilson M, Landau D
Phys Rev E . 2021 Sep; 104(2-2):025303. PMID: 34525583
The HP model, a coarse-grained protein representation with only hydrophobic (H) and polar (P) amino acids, has already been extensively studied on the simple cubic (SC) lattice. However, this geometry...
5.
Farris A, Seaton D, Landau D
J Chem Phys . 2021 Feb; 154(8):084903. PMID: 33639740
We compare and contrast folding behavior in several coarse-grained protein models, both on- and off-lattice, in an attempt to uncover the effect of lattice constraints in these kinds of models....
6.
Xu J, Ferrenberg A, Landau D
Phys Rev E . 2020 Mar; 101(2-1):023315. PMID: 32168706
We apply extensive Monte Carlo simulations to study the probability distribution P(m) of the order parameter m for the simple cubic Ising model with periodic boundary condition at the transition...
7.
Kotiuga M, Zhang Z, Li J, Rodolakis F, Zhou H, Sutarto R, et al.
Proc Natl Acad Sci U S A . 2019 Oct; 116(44):21992-21997. PMID: 31611403
Point defects, such as oxygen vacancies, control the physical properties of complex oxides, relevant in active areas of research from superconductivity to resistive memory to catalysis. In most oxide semiconductors,...
8.
Shi G, Wust T, Landau D
J Chem Phys . 2018 Nov; 149(16):164913. PMID: 30384708
We studied the folding behavior of two coarse-grained, lattice models, the HP (hydrophobic-polar) model and the semi-flexible H0P model, whose 124 monomer long sequences were derived from the protein Ribonuclease...
9.
Farris A, Shi G, Wust T, Landau D
J Chem Phys . 2018 Oct; 149(12):125101. PMID: 30278675
Using Monte Carlo simulations, we investigate simple, physically motivated extensions to the hydrophobic-polar lattice protein model for the small (46 amino acid) protein Crambin. We use two-dimensional replica-exchange Wang-Landau sampling...
10.
Ferrenberg A, Xu J, Landau D
Phys Rev E . 2018 May; 97(4-1):043301. PMID: 29758673
While the three-dimensional Ising model has defied analytic solution, various numerical methods like Monte Carlo, Monte Carlo renormalization group, and series expansion have provided precise information about the phase transition....