M Scott Shell

Affiliations

Department of Chemical Engineering, University of California, Santa Barbara, California 93106-9010, USA.

ORCID: 0000000204391534

Publications (18)

Decoding signatures of structure, bulk thermodynamics, and solvation in three-body angle distributions of rigid water models.

The Journal of chemical physics

Avec: Jacob I Monroe , M Scott Shell

Water Structure and Properties at Hydrophilic and Hydrophobic Surfaces.

Annual review of chemical and biomolecular engineering

Avec: Jacob Monroe , Mikayla Barry , Audra DeStefano , Pinar Aydogan Gokturk , Sally Jiao , Dennis Robinson-Brown , Thomas Webber , Ethan J Crumlin , Songi Han , M Scott Shell

Learning composition-transferable coarse-grained models: Designing external potential ensembles to maximize thermodynamic information.

The Journal of chemical physics

Avec: Kevin Shen , Nicholas Sherck , My Nguyen , Brian Yoo , Stephan Köhler , Joshua Speros , Kris T Delaney , Glenn H Fredrickson , M Scott Shell

Sequence Modulates Polypeptoid Hydration Water Structure and Dynamics.

Biomacromolecules

Avec: Sally Jiao , Daniela M Rivera Mirabal , Audra J DeStefano , Rachel A Segalman , Songi Han , M Scott Shell

Bridging the Gap in Cryopreservation Mechanism: Unraveling the Interplay between Structure, Dynamics, and Thermodynamics in Cryoprotectant Aqueous Solutions.

The journal of physical chemistry. B

Avec: Debasish Das Mahanta , Dennis Robinson Brown , Thomas Webber , Simone Pezzotti , Gerhard Schwaab , Songi Han , M Scott Shell , Martina Havenith

Evidence for Entropically Controlled Interfacial Hydration in Mesoporous Organosilicas.

Journal of the American Chemical Society

Avec: Hyunjin Moon , Ryan P Collanton , Jacob I Monroe , Thomas M Casey , M Scott Shell , Songi Han , Susannah L Scott

End-to-End Distance Probability Distributions of Dilute Poly(ethylene oxide) in Aqueous Solution.

Journal of the American Chemical Society

Avec: Nicholas Sherck , Thomas Webber , Dennis Robinson Brown , Timothy Keller , Mikayla Barry , Audra DeStefano , Sally Jiao , Rachel A Segalman , Glenn H Fredrickson , M Scott Shell , Songi Han

An Information-Theory-Based Approach for Optimal Model Reduction of Biomolecules.

Journal of chemical theory and computation

Avec: Marco Giulini , Roberto Menichetti , M Scott Shell , Raffaello Potestio

Designing Solute-Tailored Selectivity in Membranes: Perspectives for Water Reuse and Resource Recovery.

ACS macro letters

Avec: Rahul Sujanani , Matthew R Landsman , Sally Jiao , Joshua D Moon , M Scott Shell , Desmond F Lawler , Lynn E Katz , Benny D Freeman

Relationships between Molecular Structural Order Parameters and Equilibrium Water Dynamics in Aqueous Mixtures.

The journal of physical chemistry. B

Avec: Dennis Charles Robinson Brown , Thomas R Webber , Sally Jiao , Daniela M Rivera Mirabal , Songi Han , M Scott Shell

Predicting surfactant phase behavior with a molecularly informed field theory.

Journal of colloid and interface science

Avec: Kevin Shen , My Nguyen , Nicholas Sherck , Brian Yoo , Stephan Köhler , Joshua Speros , Kris T Delaney , M Scott Shell , Glenn H Fredrickson

Inverse design of pore wall chemistry and topology through active learning of surface group interactions.

The Journal of chemical physics

Avec: Sally Jiao , M Scott Shell

Surveying the energy landscape of coarse-grained mappings.

The Journal of chemical physics

Avec: Katherine M Kidder , M Scott Shell , W G Noid

Extrapolation and interpolation strategies for efficiently estimating structural observables as a function of temperature and density.

The Journal of chemical physics

Avec: Jacob I Monroe , Harold W Hatch , Nathan A Mahynski , M Scott Shell , Vincent K Shen

Universal Gas Adsorption Mechanism for Flat Nanobubble Morphologies.

Physical review letters

Avec: Nikolai D Petsev , L Gary Leal , M Scott Shell

Affinity of small-molecule solutes to hydrophobic, hydrophilic, and chemically patterned interfaces in aqueous solution.

Proceedings of the National Academy of Sciences of the United States of America

Avec: Jacob I Monroe , Sally Jiao , R Justin Davis , Dennis Robinson Brown , Lynn E Katz , M Scott Shell

Transferability of Local Density-Assisted Implicit Solvation Models for Homogeneous Fluid Mixtures.

Journal of chemical theory and computation

Avec: David Rosenberger , Tanmoy Sanyal , M Scott Shell , Nico F A van der Vegt

Molecularly Informed Field Theories from Bottom-up Coarse-Graining.

ACS macro letters

Avec: Nicholas Sherck , Kevin Shen , My Nguyen , Brian Yoo , Stephan Köhler , Joshua C Speros , Kris T Delaney , M Scott Shell , Glenn H Fredrickson

Réseau de co-auteurs

Sally Jiao 7 collaborations

Songi Han 6 collaborations

Jacob I Monroe 4 collaborations

Nicholas Sherck 4 collaborations

Glenn H Fredrickson 4 collaborations

Thomas Webber 3 collaborations

Kevin Shen 3 collaborations

My Nguyen 3 collaborations

Brian Yoo 3 collaborations

Stephan Köhler 3 collaborations

Kris T Delaney 3 collaborations

Dennis Robinson Brown 3 collaborations

Mikayla Barry 2 collaborations

Audra DeStefano 2 collaborations

Joshua Speros 2 collaborations

Daniela M Rivera Mirabal 2 collaborations

Rachel A Segalman 2 collaborations

Lynn E Katz 2 collaborations

Jacob Monroe 1 collaboration

Pinar Aydogan Gokturk 1 collaboration

Dennis Robinson-Brown 1 collaboration

Ethan J Crumlin 1 collaboration

Audra J DeStefano 1 collaboration

Debasish Das Mahanta 1 collaboration

Simone Pezzotti 1 collaboration

Gerhard Schwaab 1 collaboration

Martina Havenith 1 collaboration

Hyunjin Moon 1 collaboration

Ryan P Collanton 1 collaboration

Thomas M Casey 1 collaboration

Susannah L Scott 1 collaboration

Timothy Keller 1 collaboration

Marco Giulini 1 collaboration

Roberto Menichetti 1 collaboration

Raffaello Potestio 1 collaboration

Rahul Sujanani 1 collaboration

Matthew R Landsman 1 collaboration

Joshua D Moon 1 collaboration

Desmond F Lawler 1 collaboration

Benny D Freeman 1 collaboration

Dennis Charles Robinson Brown 1 collaboration

Thomas R Webber 1 collaboration

Katherine M Kidder 1 collaboration

W G Noid 1 collaboration

Harold W Hatch 1 collaboration

Nathan A Mahynski 1 collaboration

Vincent K Shen 1 collaboration

Nikolai D Petsev 1 collaboration

L Gary Leal 1 collaboration

R Justin Davis 1 collaboration

David Rosenberger 1 collaboration

Tanmoy Sanyal 1 collaboration

Nico F A van der Vegt 1 collaboration

Joshua C Speros 1 collaboration