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Proceedings of the Royal Society A: Mathematical, Physical and Engineering Sciences, ISSN 1364-5021, 04/2018, Volume 474, Issue 2212, p. 20170639
In textural equilibrium, partially molten materials minimize the total surface energy bound up in grain boundaries and grain-melt interfaces. Here, numerical... 
Textural equilibrium | Dihedral angle | Partially molten | Permeability | Porosity | FOAMS | PHASES | ENERGY | porosity | dihedral angle | STABILITY | MULTIDISCIPLINARY SCIENCES | permeability | PERCOLATION | MANTLE | MICROSTRUCTURES | textural equilibrium | partially molten | MORPHOLOGY | PERMEABILITIES | Physics - Soft Condensed Matter | 1005 | 148 | 1002 | 117 | 1009
Journal Article
Quarterly Journal of the Royal Meteorological Society, ISSN 0035-9009, 01/2016, Volume 142, Issue 694, pp. 1 - 15
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 09/2006, Volume 2, Issue 5, pp. 1282 - 1290
Several levels of density functional theory, i.e., various combinations of exchange-correlation functionals and basis sets, have been employed to compute... 
MOLECULAR EQUILIBRIUM STRUCTURES | WAVE-FUNCTIONS | QUADRATIC FORCE-FIELD | NMR CHEMICAL-SHIFTS | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | PHASE ELECTRON-DIFFRACTION | GAS-PHASE | CORRELATION-ENERGY | CHEMISTRY, PHYSICAL | ZETA-VALENCE QUALITY | GAUSSIAN-BASIS SETS | GENERALIZED GRADIENT APPROXIMATION
Journal Article
Journal of Chemical Theory and Computation, ISSN 1549-9618, 09/2008, Volume 4, Issue 9, pp. 1449 - 1459
Journal Article
Modern Physics Letters B, ISSN 0217-9849, 05/2017, Volume 31, Issue 15, p. 1750171
Equilibrium geometries, relative stabilities, electronic stabilities and magnetic properties of Co n Sn ( n = 1–12) clusters have been systematically... 
electronic and magnetic properties | equilibrium geometries | Sn clusters | SNCO | PHYSICS, CONDENSED MATTER | PHYSICS, APPLIED | ConSn clusters | IRON | SN-12(2-) | PHYSICS, MATHEMATICAL | ORDER | DISSOCIATION | 1ST-PRINCIPLES | STABILITIES | TIN | ENERGIES | Density functionals | Magnetism | Specific gravity | Analysis | Magnetic properties
Journal Article
Journal of Aerospace Engineering, ISSN 0893-1321, 01/2019, Volume 32, Issue 1, p. 4018138
Journal Article
Entropy, ISSN 1099-4300, 12/2018, Volume 20, Issue 12, p. 925
Journal Article
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, ISSN 0002-7863, 12/2019, Volume 141, Issue 48, pp. 19014 - 19022
The synthesis of macrocycles is severely impeded by concomitant oligomer formation. Here, we present a biomimetic approach that utilizes spatial confinement to... 
MOLECULAR-DYNAMICS | MESOPOROUS SILICAS | RING-CLOSING METATHESIS | ENANTIOSELECTIVE SYNTHESIS | MECHANISM | EQUILIBRIUM | CHEMISTRY, MULTIDISCIPLINARY | CATALYSTS | LIQUIDS
Journal Article
Physical Review E - Statistical, Nonlinear, and Soft Matter Physics, ISSN 1539-3755, 11/2015, Volume 92, Issue 5, p. 052101
Information theoretic geometry near critical points in classical and quantum systems is well understood for exactly solvable systems. Here, we show that... 
SPACE | METRIC GEOMETRY | PHYSICS, FLUIDS & PLASMAS | EQUILIBRIUM THERMODYNAMICS | SYSTEMS | MODEL | PHYSICS, MATHEMATICAL | DERIVATIVES
Journal Article
Chemical Physics, ISSN 0301-0104, 01/2020, Volume 529, p. 110545
In density functional theory (DFT), many methods have been developed to accurately capture the dispersion interactions in weakly-bound systems. The focus,... 
S66x8 | DFT | PW86 + PBE + XDM | vdW complexes | Dispersion | Non-equilibrium geometry | ACCURATE | S66 | PW86+PBE + XDM | DATABASE | PHYSICS, ATOMIC, MOLECULAR & CHEMICAL | CHEMISTRY, PHYSICAL | DENSITY-FUNCTIONAL THEORY
Journal Article
The European Physical Journal C, ISSN 1434-6044, 8/2017, Volume 77, Issue 8, pp. 1 - 7
Journal Article
by Tran, NM and Yu, J
MATHEMATICS OF OPERATIONS RESEARCH, ISSN 0364-765X, 11/2019, Volume 44, Issue 4, pp. 1396 - 1411
Journal Article
International Journal of Geometric Methods in Modern Physics, ISSN 0219-8878, 02/2019, Volume 16
These are the lecture notes for the course given at the "XXVII International Fall Workshop on Geometry and Physics" held in Seville (Spain) in September 2018.... 
thermodynamics | Ruppeiner geometry | Contact geometry | contact Hamiltonian systems | Sasakian geometry | LAW | QUASI-HOMOGENEOUS THERMODYNAMICS | INTEGRABLE (3+1)-DIMENSIONAL SYSTEMS | PHYSICS, MATHEMATICAL | HAMILTONIAN-STRUCTURE | METRIC GEOMETRY | EQUILIBRIUM THERMODYNAMICS | DYNAMICS | SASAKI-EINSTEIN MANIFOLDS | VARIABLES | RIEMANNIAN GEOMETRY
Journal Article
Journal of Computational Physics, ISSN 0021-9991, 04/2018, Volume 359, Issue C, pp. 263 - 282
Journal Article