Sapna Sarupria

(144d) Molecular Dynamics Study of Hydrocarbon Adsorption on Dendrimers and Graphene Oxide for Water Purification

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

Nicholas Geitner

Priyanka Bhattacharya

Pu-Chun Ke

Feng Ding

(366f) An Integrated Multiscale Modeling and Experimental Approach to Design Fouling-Resistant Membranes

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

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(304e) Binding Affinities of Amino Acids on Graphene: Assessment of Force Fields

Siva Dasetty

John Barrows

(757c) Impact of Surfaces Charge Distribution on the Mechanism of Heterogeneous Ice Nucleation

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(436f) Heterogeneous Ice Nucleation Using Forward Flux Sampling

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(665b) Understanding the Structural Differences Between Psychrophilic and Thermophilic Enzymes: A Molecular Dynamics Study

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(754d) Molecular Dynamics Simulations of Clathrate Hydrate Nucleation Near Model Hydrophobic and Hydrophilic Surfaces

(356c) Molecular Dynamics Studies of Structure ΙΙ Hydrate Nucleation Using Advanced Sampling Techniques

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(781c) Improving the Activity of a Thermophilic Lipase By Increasing the Flexibility Proximal to the Active Site

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

2016 AIChE Annual Meeting (ISBN: 978-0-8169-1097-7)

(355i) Dendrimers for Oil Dispersion: Atomistic and Coarse-Grained Molecular Dynamics Investigations of Dendrimer–Hydrocarbon Interactions

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

(724c) Molecular Dynamics Investigations of Dendrimer–Aromatic Hydrocarbon Interactions

Danielle Jacobs

(303d) Heterogeneous Ice Nucleation and Growth: What Effects Do Surfaces Have?

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

(744b) Nucleation of Gas Hydrates in Interfacial Systems

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

(484b) Role of Protein Sequence in Driving Molecular Interactions Between Proteins and Carbon Nanomaterials: A Molecular Dynamics Study

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

Siva Dasetty

(231e) Scalable Forward Flux Sampling, Scaffs: Enabling Large Scale Simulations of Rare Events

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

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

(675a) Uncovering Heterogeneous Ice Nucleation Using Advanced Molecular Simulations [Invited Talk]

(767d) Colloidal Foulant Behavior on Membrane Surfaces with Controlled Chemistry and Ordered Roughness

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(83c) Using Simulations and Experiments to Characterize Water Structure Near Mica Surfaces for Heterogeneous Ice Nucleation

(286a) Nucleation Mechanism of Clathrate Hydrates of Soluble Guest Molecules

Jiarun Zhou

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(511b) Engineering Robust Activity in Extremophilic Enzymes

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(191cn) Impact of Linker Attachment Site on Structure and Dynamics of Enzymes

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(551c) Accessing the Inaccessible: Studying the Liquid-to-Solid Transition in Molecular Simulations

(363c) Water Structure and Dynamics in Thin Films On Mineral Surfaces

2017 Annual Meeting (ISBN: 978-0-8169-1102-8)

(166a) Water Structure on Mica Surfaces: Synergistic Insights from Experiments and Molecular Simulations

2013 AIChE Annual Meeting (ISBN: 978-0-8169-1110-3)

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(683e) Saffire: Enabling Large Scale Simulations of Rare Events

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(188co) Enzyme Immobilization: Predictive Structure-Function Relationships for Effective Enzyme-Linker-Surface Complexes

2018 AIChE Annual Meeting (ISBN: 978-0-8169-1108-0)

(502b) Learning Structure Identification in Molecular Simulations with a Pointnet

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

(659a) Rigid Seeding: A Computationally Efficient Method to Study Heterogeneous Nucleation in Molecular Simulations

Tianmu Yuan

(286c) Effect of Multivalent Surface Cations on Heterogeneous Freezing of Water

2019 AIChE Annual Meeting (ISBN: 978-0-8169-1112-7)

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(31h) Investigating Path Sampling Techniques on Complex Energy Landscapes to Study Nucleation

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)

(346z) Advancing Rational Design of Peptide Self-Assembly at Surfaces

Siva Dasetty

(687b) Polymerizeit! Software to Generate Molecular Structures of Crosslinked Polymers in silico

2020 Virtual AIChE Annual Meeting (ISBN: 978-0-8169-1114-1)