315 citations · 589 across the 13 of their papers we have counts for
13 papers
Library Design in Combinatorial Chemistry by Monte Carlo Methods
Marco Falcioni, Michael W. Deem
Strategies for searching the space of variables in combinatorial chemistry experiments are presented, and a random energy model of combinatorial chemistry experiments is introduced…
Disorder-Induced Time-Dependent Diffusion in Zeolites
Ligang Chen, Marco Falcioni, Michael W. Deem
We suggest that disordered framework aluminums and non-framework cations can create a disordered electrostatic potential in zeolites that can lead to a discrepancy between diffusiv…
A Biased Monte Carlo Scheme for Zeolite Structure Solution
Marco Falcioni, Michael W. Deem
We describe a new, biased Monte Carlo scheme to determine the crystal structures of zeolites from powder diffraction data. We test the method on all publicly known zeolite material…
Anisotropic Membranes
M. Bowick, S. Catterall, S. Warner +2
We describe the statistical behavior of anisotropic crystalline membranes. In particular we give the phase diagram and critical exponents for phantom membranes and discuss the gene…
Improved Algorithms for Simulating Crystalline Membranes
G. Thorleifsson, M. Falcioni
The physics of crystalline membranes, i.e. fixed-connectivity surfaces embedded in three dimensions and with an extrinsic curvature term, is very rich and of great theoretical inte…
Numerical Observation of a Tubular Phase in Anisotropic Membranes
Mark Bowick, Marco Falcioni, Gudmar Thorleifsson
We provide the first numerical evidence for the existence of a tubular phase, predicted by Radzihovsky and Toner (RT), for anisotropic tethered membranes without self-avoidance. In…