-
1
-
-
18144371621
-
New insights into the melting behavior of MgO from molecular dynamics simulations: The importance of premelting effects
-
Aguado, A.; Madden, P. A. (2005): New insights into the melting behavior of MgO from molecular dynamics simulations: the importance of premelting effects. Physical Review Letters, vol. 94, 68501.
-
(2005)
Physical Review Letters
, vol.94
, pp. 68501
-
-
Aguado, A.1
Madden, P.A.2
-
2
-
-
27744444567
-
Melting curve of MgO from first-principles simulations
-
Alfe, D. (2005): Melting curve of MgO from first-principles simulations. Physical Review Letters, vol. 94, 235701.
-
(2005)
Physical Review Letters
, vol.94
, pp. 235701
-
-
Alfe, D.1
-
4
-
-
0029730015
-
Molecular dynamics of NaCl (B1 and B2) and MgO (B1) melting: Two-phase simulation
-
Belonoshko A. B.; Dubrovinsky, L. S. (1996): Molecular dynamics of NaCl (B1 and B2) and MgO (B1) melting: two-phase simulation. American Mineralogist, vol. 81, pp. 303-316.
-
(1996)
American Mineralogist
, vol.81
, pp. 303-316
-
-
Belonoshko, A.B.1
Dubrovinsky, L.S.2
-
6
-
-
0001261361
-
Elasticity and constitution of the Earth's interior
-
Birch, F. (1952): Elasticity and constitution of the Earth's interior. J of Geophysical Research, vol. 57, pp. 227-286.
-
(1952)
J of Geophysical Research
, vol.57
, pp. 227-286
-
-
Birch, F.1
-
7
-
-
84943555385
-
Accelerated volume rendering and tomographic reconstruction using texture-mapping hardware
-
Cabrai, B.; Cam, N.; Foran, J. (1994): Accelerated volume rendering and tomographic reconstruction using texture-mapping hardware. Proc. of 1994 Symposium on Volume Visualization, pp. 91-98.
-
(1994)
Proc. of 1994 Symposium on Volume Visualization
, pp. 91-98
-
-
Cabrai, B.1
Cam, N.2
Foran, J.3
-
8
-
-
33744691386
-
Ground state of the electron gas by a stochastic method
-
Ceperley, D. M.; Alder, B. J. (1980): Ground state of the electron gas by a stochastic method. Physical Review Letters, vol. 45, pp. 566-569.
-
(1980)
Physical Review Letters
, vol.45
, pp. 566-569
-
-
Ceperley, D.M.1
Alder, B.J.2
-
9
-
-
0001170012
-
High-pressure behavior of MgO: Structural and electronic properties
-
Chang, K. J.; Cohen, M. L. (1984): High-pressure behavior of MgO: structural and electronic properties. Physical Review B, vol. 30, pp. 4774-4781.
-
(1984)
Physical Review B
, vol.30
, pp. 4774-4781
-
-
Chang, K.J.1
Cohen, M.L.2
-
10
-
-
0035887158
-
Ab initio simulations of liquid semiconductors using the pseudopotenital-density functional method
-
Chelikowsky, J. R.; Derby, J. J.; Godlevsky, V. V.; Jain, M.; Raty, J. Y. (2001): Ab initio simulations of liquid semiconductors using the pseudopotenital-density functional method. J of Physics C, vol. 13, pp. 817-854.
-
(2001)
J of Physics C
, vol.13
, pp. 817-854
-
-
Chelikowsky, J.R.1
Derby, J.J.2
Godlevsky, V.V.3
Jain, M.4
Raty, J.Y.5
-
11
-
-
0000634725
-
Melting and melt structure of MgO at high pressures
-
Cohen, R. E.; Gong, Z. (1994): Melting and melt structure of MgO at high pressures. Physical Review B, vol. 50, pp. 12301-12311.
-
(1994)
Physical Review B
, vol.50
, pp. 12301-12311
-
-
Cohen, R.E.1
Gong, Z.2
-
12
-
-
36549102647
-
Error estimates on averages of correlated data
-
Flyvbjerg, H.; Petersen, H. G. (1989): Error estimates on averages of correlated data. J of Chemical Physics, vol. 91, pp. 461-466.
-
(1989)
J of Chemical Physics
, vol.91
, pp. 461-466
-
-
Flyvbjerg, H.1
Petersen, H.G.2
-
13
-
-
10644250257
-
Inhomogeneous electron gas
-
Hohenberg, P.; Kohn, W. (1964): Inhomogeneous electron gas. Physical Review, vol. 136, pp. B864-B871.
-
(1964)
Physical Review
, vol.136
-
-
Hohenberg, P.1
Kohn, W.2
-
15
-
-
0029878720
-
VMD - Visual molecular dynamics
-
Humphrey, W.; Dalke, A.; Schulten, K. (1996): VMD - Visual Molecular Dynamics. Journal of Molecular Graphics, vol. 14, pp. 3-38.
-
(1996)
Journal of Molecular Graphics
, vol.14
, pp. 3-38
-
-
Humphrey, W.1
Dalke, A.2
Schulten, K.3
-
16
-
-
33646553374
-
First-principles calculations of the structural, dynamic and electronic properties of liquid MgO
-
Karki B. B.; Bhattarai, D.; Stixrude, L. (2006): First-principles calculations of the structural, dynamic and electronic properties of liquid MgO, Physical Review B. vol. 73, 174208.
-
(2006)
Physical Review B
, vol.73
, pp. 174208
-
-
Karki, B.B.1
Bhattarai, D.2
Stixrude, L.3
-
19
-
-
0042113153
-
Self-consistent equations including exchange and correlation effects
-
Kohn, W.; Sham, L. (1965): Self-consistent equations including exchange and correlation effects. Physical Review, vol. 140, pp. A1133-A1138.
-
(1965)
Physical Review
, vol.140
-
-
Kohn, W.1
Sham, L.2
-
20
-
-
0033497492
-
XcrySDen - A new program for displaying crystalline structures and electron densities
-
Kokaji, A. (1999): XcrySDen - a new program for displaying crystalline structures and electron densities. J of Molecular Graphics Modelling, vol. 17, pp. 176-179.
-
(1999)
J of Molecular Graphics Modelling
, vol.17
, pp. 176-179
-
-
Kokaji, A.1
-
21
-
-
0030190741
-
Efficiency of abinitio total energy calculations for metals and semiconductors using a plane-wave basis set
-
Kresse, G.; Furthmuller, J. (1996): Efficiency of abinitio total energy calculations for metals and semiconductors using a plane-wave basis set. Computational Material Science, vol. 6, pp. 15-50.
-
(1996)
Computational Material Science
, vol.6
, pp. 15-50
-
-
Kresse, G.1
Furthmuller, J.2
-
22
-
-
36149032255
-
Optimized norm-conserving pseudopotentials
-
Kresse, G., Hafner, J.; Needs, R. J. (1992): Optimized norm-conserving pseudopotentials. Journal of Physics C, vol. 4, pp. 7451-7468.
-
(1992)
Journal of Physics C
, vol.4
, pp. 7451-7468
-
-
Kresse, G.1
Hafner, J.2
Needs, R.J.3
-
23
-
-
0023381475
-
Marching cubes: A high-resolution 3D surface reconstruction algorithm
-
Lorensen, W. E.; Cline, H. E. (1987): Marching cubes: a high-resolution 3D surface reconstruction algorithm. Computer Graphics (Proc. of SIGGRAPH), vol. 21, pp. 163-169.
-
(1987)
Computer Graphics (Proc. of SIGGRAPH)
, vol.21
, pp. 163-169
-
-
Lorensen, W.E.1
Cline, H.E.2
-
24
-
-
34547809547
-
A unified formulation of the constant temperature molecular dynamics method
-
Nose, S. (1984): A unified formulation of the constant temperature molecular dynamics method. J of Chemical Physics, vol. 81, pp. 511-519.
-
(1984)
J of Chemical Physics
, vol.81
, pp. 511-519
-
-
Nose, S.1
-
25
-
-
0021561106
-
Densities of silicate liquids at high pressure
-
Rigden, S. M.; Ahrens, T. J.; Stolper, E. M. (1984): Densities of silicate liquids at high pressure. Science, vol. 226, pp. 1071-1074.
-
(1984)
Science
, vol.226
, pp. 1071-1074
-
-
Rigden, S.M.1
Ahrens, T.J.2
Stolper, E.M.3
-
26
-
-
0037309449
-
Immersive and interactive exploration of billion-atoms systems
-
Sharma, A.; Haas, A.; Nakano, A.; Kalla, R.; Vashishta, P.; Kodiyalam, S.; Miller, P.; Zhao, W.; Liu, X.; Campbell, T. J.; Hass, A. (2003): Immersive and interactive exploration of billion-atoms systems. Presence, vol. 12, pp. 85-95.
-
(2003)
Presence
, vol.12
, pp. 85-95
-
-
Sharma, A.1
Haas, A.2
Nakano, A.3
Kalla, R.4
Vashishta, P.5
Kodiyalam, S.6
Miller, P.7
Zhao, W.8
Liu, X.9
Campbell, T.J.10
Hass, A.11
-
27
-
-
3242669737
-
Computational nanomechanics and multi-scale simulation
-
Shen, S.; Atluri, S. N. (2004): Computational nanomechanics and multi-scale simulation, CMC: Computers, Materials & Continua, vol. 1, pp. 59-90.
-
(2004)
CMC: Computers, Materials & Continua
, vol.1
, pp. 59-90
-
-
Shen, S.1
Atluri, S.N.2
-
29
-
-
26844580221
-
3liquid in Earth's lower mantle
-
3liquid in Earth's lower mantle. Science, vol. 310, pp. 297-299.
-
(2005)
Science
, vol.310
, pp. 297-299
-
-
Stixrude, L.1
Karki, B.B.2
-
30
-
-
0037049663
-
Pressure-induced structural changes in liquid SiO2 from ab initio simulations
-
No. 245504
-
Trave, A.; Tangney, P., Scandolo, S.; Pasquarello, A.; Car, R. (2002): Pressure-induced structural changes in liquid SiO2 from ab initio simulations. Physical Review Letters, vol. 89, No. 245504.
-
(2002)
Physical Review Letters
, vol.89
-
-
Trave, A.1
Tangney, P.2
Scandolo, S.3
Pasquarello, A.4
Car, R.5
-
32
-
-
0028165606
-
Constraints on the melting temperature of the lower mantle from high-pressure experiments on MgO and magnesioustite
-
Zerr, A.; Boehler, R. (1994): Constraints on the melting temperature of the lower mantle from high-pressure experiments on MgO and magnesioustite. Nature, vol. 371, pp. 506-508.
-
(1994)
Nature
, vol.371
, pp. 506-508
-
-
Zerr, A.1
Boehler, R.2
|