Virtual Laboratory for Earth and Planetary Materials, VLab
Renata Wenztcovitch, Yousef Saad, Ilja Siepmann, Don Truhlar, Dave Yuen (Minnesota), Philip Allen
(Stony Brook), Gordon Erlebacher (Florida), Bijaya Karki (Louisiana), Marlon Pierce (Indiana), Frank Spera
(Santa Barbara), ITR 0428774, 0425059, 0427264, 0426601, 0426867, 0426757
1st Vlab Workshop
Organizer: Renata Wentzcovitch
Date: July 20-23, 2005
Workshop Venue: This workshop was primarily a meeting of the VLab
team and the community of scientists with overlapping interests. Despite
the targeted nature of the science, the spectrum of areas of expertise
covered was very broad. Theoretical chemists and materials physicists,
along with information technology scientists, came together with Earth and
planetary scientists to define novel key problems, identify technologies, and
outline strategies to advance planetary materials science.
Participants: There were 66 participants from 20 institutions (4 Europeans
and 1 Japanese).
http://www.vlab.msi.umn.edu/events/workshops.shtml
Sandro Scandolo (Physics,
ICTP, Trieste, IT) and Phil Allen
(Physics, SUNY Stony Brook)
are both interested in heat
transport properties in minerals.
http://vlab.msi.umn.edu
Bijaya Karki looking back (Computer Science,
LSU); Erin Dahlke (Chemistry, U of MN), Don
Weidner (Geosciences, SUNY Stony Brook),
Slava Solomatov (Earth and Space Sciences, U.
of Washington) Adam Dziewonski (Earth and
Planetary Sciences, Harvard), Koichiro Umemoto
(Materials Science, U. of MN). This group
illustrates the diversity of expertise represented in
this highly interdisciplinary workshop.
Virtual Laboratory for Earth and Planetary Materials, VLab
Renata Wenztcovitch, Yousef Saad, Ilja Siepmann, Don Truhlar, Dave Yuen (Minnesota), Philip Allen
(Stony Brook), Gordon Erlebacher (Florida), Bijaya Karki (Louisiana), Marlon Pierce (Indiana), Frank Spera
(Santa Barbara), ITR 0428774, 0425059, 0427264, 0426601, 0426867, 0426757
1st Vlab Workshop
Program: The program consisted of 8 oral and 1 poster session.
The underlying themes were:
1) planetary sciences (thermochemical state of the lower mantle,
water in the deep mantle, exoplanets’ interiors)
2) materials science/mineral physics (computations of strongly
correlated systems, solid solutions, quantum dynamics of ice,
Monte Carlo simulations of phase equilibrium, diamond anvil
experiments)
3) advances in first principles methodologies (beyond DFT, meta
and hybrid functionals, improved density functionals)
4) Information technology (grid technology, novel visualization tools,
portal development)
7/21
The Puzzle Earth (I)
Rocks, Magmas, and Mush
Beyond Earth
7/22
The Puzzle Earth (II)
Motivations for Large Scale Computations
Facilitating Large Scale Computations
7/23
Some Trends in Planetary Materials Computations
More Trends in Planetary Materials Computations
http://www.vlab.msi.umn.edu/events/scientificProgram.shtml
http://vlab.msi.umn.edu
Razvan Caracas
(Geophysical Lab,
CIW), Paul Tacley
(UCLA), Renata
Wentzcovitch. Their
common interest is
the geophysical
importance
of the pos-perovskite
transition.
Caetano Miranda
(ICTP, Trieste),
Stefano de Gironcoli a
little hidden (SISSA,
Trieste), Ryan Requist
(SUNY), Zhongqing
Wu (U of MN) and
Sun Tao (SUNY).