User profiles for M. W. Deem
Michael DeemCurrently General Partner at SmartHealth Catalyzer and CEO of a startup Verified email at mwdeem.org Cited by 12452 |
Parallel tempering: Theory, applications, and new perspectives
… to accurately model high molecular weight species. The first application of parallel tempering
to polymeric systems was by Yan and de Pablo to high molecular weight species. Bunker …
to polymeric systems was by Yan and de Pablo to high molecular weight species. Bunker …
The emergence of modularity in biological systems
DM Lorenz, A Jeng, MW Deem - Physics of life reviews, 2011 - Elsevier
In this review, we discuss modularity and hierarchy in biological systems. We review examples
from protein structure, genetics, and biological networks of modular partitioning of the …
from protein structure, genetics, and biological networks of modular partitioning of the …
A general recursion method for calculating diffracted intensities from crystals containing planar faults
A general recursion algorithm is described for calculating kinematical diffraction intensities
from crystals containing coherent planar faults. The method exploits the self-similar stacking …
from crystals containing coherent planar faults. The method exploits the self-similar stacking …
In silico screening of carbon-capture materials
…, K Jariwala, CH Rycroft, AS Bhown, MW Deem… - Nature materials, 2012 - nature.com
One of the main bottlenecks to deploying large-scale carbon dioxide capture and storage (CCS)
in power plants is the energy required to separate the CO 2 from flue gas. For example, …
in power plants is the energy required to separate the CO 2 from flue gas. For example, …
A biased Monte Carlo scheme for zeolite structure solution
M Falcioni, MW Deem - The Journal of chemical physics, 1999 - pubs.aip.org
Zeolites continue to be synthesized at a furious pace. Crucial to the development of the field
of zeolite science is the ability to determine the structure of newly-synthesized materials: …
of zeolite science is the ability to determine the structure of newly-synthesized materials: …
A database of new zeolite-like materials
R Pophale, PA Cheeseman, MW Deem - Physical Chemistry Chemical …, 2011 - pubs.rsc.org
We here describe a database of computationally predicted zeolite-like materials. These crystals
were discovered by a Monte Carlo search for zeolite-like materials. Positions of Si atoms …
were discovered by a Monte Carlo search for zeolite-like materials. Positions of Si atoms …
The materials genome in action: identifying the performance limits for methane storage
Analogous to the way the Human Genome Project advanced an array of biological sciences
by mapping the human genome, the Materials Genome Initiative aims to enhance our …
by mapping the human genome, the Materials Genome Initiative aims to enhance our …
Evolvability is a selectable trait
Concomitant with the evolution of biological diversity must have been the evolution of
mechanisms that facilitate evolution, because of the essentially infinite complexity of protein …
mechanisms that facilitate evolution, because of the essentially infinite complexity of protein …
Strict detailed balance is unnecessary in Monte Carlo simulation
VI Manousiouthakis, MW Deem - The Journal of chemical physics, 1999 - pubs.aip.org
Detailed balance is an overly strict condition to ensure a valid Monte Carlo simulation. We
show that, under fairly general assumptions, a Monte Carlo simulation need satisfy only the …
show that, under fairly general assumptions, a Monte Carlo simulation need satisfy only the …
Computational discovery of new zeolite-like materials
MW Deem, R Pophale, PA Cheeseman… - The Journal of Physical …, 2009 - ACS Publications
We present a database of computationally predicted zeolite-like materials. The materials
were identified by a Monte Carlo search of Si atom positions as the number of unique atoms, …
were identified by a Monte Carlo search of Si atom positions as the number of unique atoms, …