J. Ilja Siepmann

(705g) Are Striped Phases on Mixed-Ligand Coated Nanoparticles Thermodynamically Stable?

2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)

(231aw) Developing First Principles Monte Carlo Methods for Phase Equilibria in the CP2K Software Suite

Evgenii Fetisov

Thilanga Liyana Arachchi

2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)

2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)

(231ax) Structural and Transport Properties of Liquid Benzene

2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)

(717g) Self-Assembly and Phase Behavior in Alkane/Water/Surfactant Mixtures with Two or Three Liquid Phases

(749f) Development of a Transferable Force Field for Hydrogen Sulfide

David B. Harwood

Angel D. Cortés-Morales

Cor J. Peters

Peng Bai

2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)

Mansi Shah

Michael Tsapatsis

(510g) Understanding the Unusual Adsorption Behavior in Hierarchical Zeolite Nanosheets

2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)

2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)

(510h) Force Field Development for Gas Adsorption in the M-MOF-74 Series Based on First Principles Calculations

(550f) Nanoporous Materials Explorer: The Database of the Nanoporous Materials Genome Center

2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)

(617b) Simulation of Oligomeric Polyolefin Blend Phase Behavior

2014 AIChE Annual Meeting (ISBN: 978-0-8169-1086-1)

Qile Chen

Timothy P. Lodge

(395d) Understanding Unique Diffusion Behavior in Hierarchical Zeolites

2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)

2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)

(260a) Discovery of Optimal Zeolites and Metal-Organic Frameworks for Challenging Separations and Chemical Conversions through Predictive Materials Modeling

Peng Bai

(731j) The Trappe Validation Database

Michael W. Deem

Michael Tsapatsis

Laura Gagliardi

2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)

Becky Eggimann

(247ac) Online Tools for the Trappe Family of Force Fields

2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)

Becky Eggimann

(360f) First Principles Molecular Dynamics Simulations of Deep Eutectic Solvent Systems

2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)

2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)

(731h) Determination of Bonded Potentials for Complex Molecules Using a Monte Carlo Approach Combining Configurational-Bias Sampling and Simulated Annealing

Rebecca K. Lindsey

(723d) Partitioning of Organics into Surfactant Bilayers

2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)

2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)

(305b) Multi-Component Gas Separation of Sour Natural Gas Mixtures Using All-Silica Zeolites

Mansi S. Shah

Michael Tsapatsis

(582f) Computational Screening of MOFs with Open Metal Sites

2015 AIChE Annual Meeting Proceedings (ISBN: 978-0-8169-1094-6)

Laura Gagliardi