User profiles for M. W. Deem

Michael Deem

Currently 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

DJ Earl, MW Deem - Physical Chemistry Chemical Physics, 2005 - pubs.rsc.org
… 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 …

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 …

A general recursion method for calculating diffracted intensities from crystals containing planar faults

…, JM Newsam, MW Deem - Proceedings of the …, 1991 - royalsocietypublishing.org
A general recursion algorithm is described for calculating kinematical diffraction intensities
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, …

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: …

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 …

The materials genome in action: identifying the performance limits for methane storage

…, RL Martin, R Mercado, MW Deem… - Energy & …, 2015 - pubs.rsc.org
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 …

Evolvability is a selectable trait

DJ Earl, MW Deem - … of the National Academy of sciences, 2004 - National Acad Sciences
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 …

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 …

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, …