Fluid Compressibility Predicted Using Atomistic SimulationsVADAKKEPATT, Ajay; MARTINI, Ashlie.Tribology & lubrication technology. 2011, Vol 67, Num 4, pp 14-16, issn 1545-858X, 3 p.Article

About the mechanism of the reconstructive structural phase transition underwent by tysonite LaF₃ under pressureDINIZ, E. M; PASCHOAL, C. W. A.Physica. B, Condensed matter. 2007, Vol 391, Num 2, pp 228-230, issn 0921-4526, 3 p.Article

Assessment of atomistic coarse-graining methodsYOUPING CHEN; ZIMMERMAN, Jonathan; KRIVTSOV, Anton et al.International journal of engineering science. 2011, Vol 49, Num 12, pp 1337-1349, issn 0020-7225, 13 p.Article

Vibrational modes of free nanoparticles : From atomic to continuum scalesRAMIREZ, Fernando; HEYLIGER, Paul R; RAPPE, Anthony K et al.The Journal of the Acoustical Society of America. 2008, Vol 123, Num 2, pp 709-717, issn 0001-4966, 9 p.Article

Quadrature-rule type approximations to the quasicontinuum method for long-range interatomic interactionsYANZHI ZHANG; GUNZBURGER, Max.Computer methods in applied mechanics and engineering. 2010, Vol 199, Num 9-12, pp 648-659, issn 0045-7825, 12 p.Article

Anomalous thermal transport along the grain boundaries of bicrystalline graphene nanoribbons from atomistic simulationsLIU, Te-Huan; LEE, Shang-Chin; PAO, Chun-Wei et al.Carbon (New York, NY). 2014, Vol 73, pp 432-442, issn 0008-6223, 11 p.Article

Role of cone angle on the mechanical behavior of cup-stacked carbon nanofibers studied by atomistic simulationsJINGJUN GU; SANSOZ, Frederic.Carbon (New York, NY). 2014, Vol 66, pp 523-529, issn 0008-6223, 7 p.Article

Molecular Insights into Diphenylalanine Nanotube Assembly: All-Atom Simulations of OligomerizationJEON, Joohyun; MILLS, Carolyn E; SCOTT SHELL, M et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 15, pp 3935-3943, issn 1520-6106, 9 p.Article

Sequence-Dependent Base-Stacking Stabilities Guide tRNA Folding Energy LandscapesRONGZHONG LI; GE, Heming W; CHO, Samuel S et al.The Journal of physical chemistry. B. 2013, Vol 117, Num 42, pp 12943-12952, issn 1520-6106, 10 p.Article

Aggregation Properties of a Polymeric Anticancer Therapeutic: A Coarse-Grained Modeling StudyPENG, Lili X; LEI YU; HOWELL, Stephen B et al.Journal of chemical information and modeling. 2011, Vol 51, Num 12, pp 3030-3035, issn 1549-9596, 6 p.Article

Diffusion mechanisms taking place at the early stages of cobalt deposition on Au(111)OVIEDO, O. A; LEIVA, E. P. M; MARISCAL, M. M et al.Journal of physics. Condensed matter (Print). 2008, Vol 20, Num 26, issn 0953-8984, 265010.1-265010.6Article

Atomistic modeling of optical properties of thin filmsPUSCHNIG, Peter; AMBROSCH -DRAXL, Claudia.Advanced engineering materials (Print). 2006, Vol 8, Num 11, pp 1151-1155, issn 1438-1656, 5 p.Article

Compact and dissociated dislocations in aluminum: Implications for deformationSRINIVASAN, S. G; LIAO, X. Z; BASKES, M. I et al.Physical review letters. 2005, Vol 94, Num 12, pp 125502.1-125502.4, issn 0031-9007Article

Atomistic treatment of depolarizing energy and field in ferroelectric nanostructuresPONOMAREVA, I; NAUMOV, I. I; KORNEV, I et al.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 14, pp 140102.1-140102.4, issn 1098-0121Article

Dependence of stacking-fault nucleation on cluster mobilityPOLOP, Celia; LAMMERSCHOP, Andreas; BUSSE, Carsten et al.Physical review B. Condensed matter and materials physics. 2005, Vol 71, Num 12, pp 125423.1-125423.8, issn 1098-0121Article

Définition d'énergies d'interfaces à partir de modèles atomiques = A definition of interface energies using atomistic modelsBLANC, Xavier; LE BRIS, Claude.Comptes rendus. Mathématique. 2005, Vol 340, Num 7, pp 535-540, issn 1631-073X, 6 p.Article

Atomistic mechanisms of fatigue in nanocrystalline metalsFARKAS, D; WILLEMANN, M; HYDE, B et al.Physical review letters. 2005, Vol 94, Num 16, pp 165502.1-165502.4, issn 0031-9007Article

On the atomistic theory of solidificationCAHOON, J. R.Metallurgical and materials transactions. A, Physical metallurgy and materials science. 2003, Vol 34, Num 11, pp 2683-2688, issn 1073-5623, 6 p.Article

Atomistic modelling of solidsFINNIS, M. W.Journal of physics. Condensed matter (Print). 2002, Vol 14, Num 11, issn 0953-8984, 370 p.Serial Issue

Calculations for millions of atoms with density functional theory: linear scaling shows its potentialBOWLER, D. R; MIYAZAKI, T.Journal of physics. Condensed matter (Print). 2010, Vol 22, Num 7, issn 0953-8984, 074207.1-074207.6Conference Paper

Atomistic simulation studies of complex carbon and silicon systems using environment-dependent tight-binding potentialsWANG, Cai-Zhuang; LEE, Gun-Do; JU LI et al.Scientific modelling and simulation (Print). 2008, Vol 15, Num 1-3, pp 97-121, issn 1874-8554, 25 p.Article

Alloyed Ge(Si)/Si(001) islands : The composition profile and the shape transformationLANG, C; COCKAYNE, D. J. H; NGUYEN-MANH, D et al.Physical review B. Condensed matter and materials physics. 2005, Vol 72, Num 15, pp 155328.1-155328.9, issn 1098-0121Article

On the farsightedness (hyperopia) of the standard k . p modelZUNGER, Alex.Physica status solidi. A. Applied research. 2002, Vol 190, Num 2, pp 467-475, issn 0031-8965Article

A BUCKLING PROBLEM FOR GRAPHENE SHEETSGALAGHER, J; MILMAN, Y; RYAN, S et al.Collection Sciences de la matière. sd, pp 155-160, isbn 978-2-35671-000-0, 1Vol, 6 p.Conference Paper

Cooperative Slowdown of Water Rotation near Densely Charged Ions Is Intense but Short-RangedVERDE, Ana Vila; LIPOWSKY, Reinhard.The Journal of physical chemistry. B. 2013, Vol 117, Num 36, pp 10556-10566, issn 1520-6106, 11 p.Article