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Page 1
Classical Physics and Blackbody Radiation.
Wang J, Casati G, Benenti G. Wang J, et al. Phys Rev Lett. 2022 Apr 1;128(13):134101. doi: 10.1103/PhysRevLett.128.134101. Phys Rev Lett. 2022. PMID: 35426723
New possible candidate structure for phase IV of solid hydrogen.
Li GJ, Gu YJ, Li ZG, Chen QF, Chen XR. Li GJ, et al. RSC Adv. 2020 Jul 15;10(44):26443-26450. doi: 10.1039/d0ra03295f. eCollection 2020 Jul 9. RSC Adv. 2020. PMID: 35519768 Free PMC article.
Dumas, Phys. Rev. B: Condens. Matter Mater. Phys., 2013, 87, 134101 and C. S. Zha, R. E. Cohen, H. K. Mao and R. J. Hemley, Proc. ...Dumas, Phys. Rev. B: Condens. Matter Mater. Phys., 2013, 87, 134101] that the ordering of hydrogen molecules in the weakly bonded mol …
Dumas, Phys. Rev. B: Condens. Matter Mater. Phys., 2013, 87, 134101 and C. S. Zha, R. E. Cohen, H. K. Mao and R. J. Hemley, Proc. ... …
Temperature and Pressure Dependences of the Elastic Properties of Tantalum Single Crystals Under <100> Tensile Loading: A Molecular Dynamics Study.
Li WB, Li K, Fan KQ, Zhang DX, Wang WD. Li WB, et al. Nanoscale Res Lett. 2018 Apr 24;13(1):118. doi: 10.1186/s11671-018-2526-1. Nanoscale Res Lett. 2018. PMID: 29693209 Free PMC article.
The results show that Ravelo-EAM (Physical Review B, 2013, 88: 134101) potential behaves well at different hydrostatic pressures. ...
The results show that Ravelo-EAM (Physical Review B, 2013, 88: 134101) potential behaves well at different hydrostatic pressures. ...
Modified feed-forward neural network structures and combined-function-derivative approximations incorporating exchange symmetry for potential energy surface fitting.
Nguyen HT, Le HM. Nguyen HT, et al. J Phys Chem A. 2012 May 10;116(18):4629-38. doi: 10.1021/jp3020386. Epub 2012 May 2. J Phys Chem A. 2012. PMID: 22548349
The combined-function-derivative approximation algorithm (J. Chem. Phys. 2009, 130, 134101) is also implemented to fit the neural-network potential energy surfaces accurately. ...
The combined-function-derivative approximation algorithm (J. Chem. Phys. 2009, 130, 134101) is also implemented to fit the neural-net …
Configurational constant pressure molecular dynamics.
Braga C, Travis KP. Braga C, et al. J Chem Phys. 2006 Mar 14;124(10):104102. doi: 10.1063/1.2172601. J Chem Phys. 2006. PMID: 16542063
., 99, 1825 (2001)] and of Braga and Travis [J. Chem. Phys., 123, 134101 (2005)] concerning configurational canonical dynamics, these new algorithms can be seen as a natural extension to the isothermal-isobaric ensemble. ...
., 99, 1825 (2001)] and of Braga and Travis [J. Chem. Phys., 123, 134101 (2005)] concerning configurational canonical dynamics, these …
The Vliegenthart-Lekkerkerker relation: the case of the Mie-fluids.
Kulinskii VL. Kulinskii VL. J Chem Phys. 2011 Apr 14;134(14):144111. doi: 10.1063/1.3578469. J Chem Phys. 2011. PMID: 21495746
Phys. 112, 5364 (2000)] is discussed in connection with the scale invariant mean-field approach proposed by Kulinskii and Bulavin [J. Chem. Phys. 133, 134101 (2010)]. We study the case of the Mie-class potentials, which is widely used in simulations of the phase equilibriu …
Phys. 112, 5364 (2000)] is discussed in connection with the scale invariant mean-field approach proposed by Kulinskii and Bulavin [J. Chem. …
Using simultaneous diagonalization and trace minimization to make an efficient and simple multidimensional basis for solving the vibrational Schrodinger equation.
Dawes R, Carrington T. Dawes R, et al. J Chem Phys. 2006 Feb 7;124(5):054102. doi: 10.1063/1.2162168. J Chem Phys. 2006. PMID: 16468846
In this paper we improve the product simultaneous diagonalization (SD) basis method we previously proposed [J. Chem. Phys. 122, 134101 (2005)] and applied to solve the Schrodinger equation for the motion of nuclei on a potential surface. ...
In this paper we improve the product simultaneous diagonalization (SD) basis method we previously proposed [J. Chem. Phys. 122, 134101 …
75 results