2010-present

Presentations at Conferences and Invited Lectures/Seminars since at Michigan Tech

PD = postdoc, GR = graduate student, UG = undergraduate student

 

2017

L. Valenzano – Imperial College, London, UK, June 2017 (The Potential of Metal Organic Frameworks in Petroleum Refining Processes: Separation, Diffusion, and the Ad Hoc Engineering of Efficient Membranes) – Invited Seminar

L. Valenzano – Imperial College, London, UK, June 2017 (Active Pharmaceutical Ingredients Addressed at Electronic Structure Level: From their Physico-Chemical Properties to their Nucleation/Growth Mechanisms) – Invited Seminar

L. Valenzano – MTU Department of Chemistry, Houghton – MI, February 2017 (Simplicio: Why should I care about Quantum Chemistry? Salviati: Because it explains how chemistry works! Sagredo: Prove it!) – Invited Seminar

E. Lilla (UG), L. Valenzano – MTU Undergraduate Research Symposium, Houghton, MI, Spring 2017 (Sulfonamide form of omeprazole in interaction with the primary amino acid sites of H+/K+ ATPase as investigated at electronic structure level) – Poster (UG)

J. Vermeylen (UG), L. Valenzano – MTU Undergraduate Research Symposium, Houghton, MI, Spring 2017 (Tensile Modulus of Biomimetic Titan) – Poster (UG)

B. Burtka (UG), L. Valenzano – MTU Undergraduate Research Symposium, Houghton, MI, Spring 2017 (Mr. B. Burtka -UG) (Engineering Metal Oxide Surfaces for Efficient Hydrocarbons Separation: A Quantum Chemical Study) – Poster (UG)

B. Burtka (UG), L. Valenzano – ACS National Meeting, San Francisco, CA, Spring 2017 (Engineering Metal Oxide Surfaces for Efficient Hydrocarbons Separation: A Quantum Chemical Study) – Poster (UG)

G. Degaga (GR), L. Valenzano – MTU Graduate Research Symposium, Houghton, MI, Spring 2017 (Adsorption and Diffusion Mechanisms of C1-C4 Hydrocarbons in MOF-74-Mg/Zn: A Quantum Chemical Study for Selective Gas Separation Applications in Petroleum Refining Industries) – Platform (GR)

G. Degaga (GR), L. Valenzano – NMU Students Research Symposium, Marquette, MI, Spring 2017 (Climbing Image Nudge-Elastic (CI-NEB) Band Study of the Diffusion of Small Hydrocarbon molecules in MOF-74-Mg) – Poster (GR)

G. Degaga (GR), L. Valenzano – ACS National Meeting, Washington DC, Fall 2017 (Diffusion Processes of Small Hydrocarbons in MOF-74-Mg Addressed via CI-NEB Periodic Calculations) – Poster (GR)

G. Degaga (GR), L. Valenzano – ACS National Meeting, Washington DC, Fall 2017 (Adsorption and Diffusion Mechanisms of C1-C4 Hydrocarbons in MOF-74-Mg/Zn: A Quantum Chemical Study for Selective Gas Separation Applications in Petroleum Refining Industries)  – Platform (GR)

 

2016

L. Valenzano – Hisar Technical University, Hisar, India, October 2016 (Introduction to Modeling Methods in Physics and Chemistry – Part 1) – Invited Lecture

L. Valenzano – Hisar Technical University, Hisar, India, October 2016 (Introduction to Modeling Methods in Physics and Chemistry – Part 2) – Invited Lecture

L. Valenzano – Hisar Technical University, Hisar, India, October 2016 (Modeling Methods: Applications in Physical-Chemistry – Part 1) – Invited Lecture

L. Valenzano – Hisar Technical University, Hisar, India, October 2016 (Modeling Methods: Applications in Physical-Chemistry – Part 2) – Invited Lecture

A. Small (UG), L. Valenzano – NMU Students Research Symposium, Marquette, MI, Spring 2016 (A Quantum Chemical Investigation on the Interaction of MgO(001) Nanotubes with Drugs Commonly Present in Drinking Water) – Poster (UG – Awarded Best Poster)

A. Small (UG), L. Valenzano – MTU Undergraduate Research Symposium, Houghton, MI, Spring 2016 (A Quantum Chemical Investigation on the Interaction of MgO(001) Nanotubes with Drugs Commonly Present in Drinking Water) – Poster (UG)

E. Lilla (UG), L. Valenzano – MTU Undergraduate Research Symposium, Houghton, MI, Spring 2016 (Ms. E. Lilla -UG) (Sulfonamide form of omeprazole in interaction with the primary amino acid sites of H+/K+ ATPase as investigated at electronic structure level) – Poster (UG)

G. Degaga (GR), L. Valenzano – MTU Graduate Research Symposium, Houghton, MI, Spring 2016 (The Potential of MgO (100) Surface for Increased and Stable Separation Application in Petroleum Refining Industries) – Poster (GR)

G. Degaga (GR), L. Valenzano – Institute for Molecular Engineering: Car-Parrinello Molecular Dynamics, Chicago, IL, Spring 2016 (Climbing Image Nudge-Elastic (CI-NEB) Band Study of the Diffusion of Small Hydrocarbon molecules in MOF-74-Mg) – Poster (GR)

 

 

2015

L. Valenzano – University of Delaware, Newark, April 2015 (Crystals and Surfaces of Molecular Crystals, and Nanoporous Materials: A Quantum Chemical Quest from Fundamentals to Applications) – Invited Seminar

L. Valenzano – ACS-Symposium on Energy, Shanghai, China, June 2015 (Bringing New Efficiencies in Petroleum Refining Processes: In Silico Investigation on the Potential of Novel Porous Materials for Olefin and Paraffin Separation) – Invited Platform

G. Degaga (GR), L. Valenzano – NMU Students Research Symposium, Marquette, MI, Spring 2015 (Adsorption of light hydrocarbons in metal-organic frameworks: Computational study at quantum chemical level) – Poster (GR)

G. Degaga (GR), L. Valenzano – School in Computational Condensed Matter Physics: From Atomistic Simulations to Universal Model Hamiltonians, Trieste, Italy, Fall 2015 (Climbing Image Nudge-Elastic (CI-NEB) Band Study of the Diffusion of Small Hydrocarbon molecules in MOF-74-Mg) – Poster (GR)

J. Vaclavek (UG), L. Valenzano – NMU Students Research Symposium, Marquette, MI, Spring 2015 (Leaching Metals and Inducing Oxidation Catalysis with Salen Complexes: A Quantum Chemical Study) – Poster (UG)

K. Winegar (UG), L. Valenzano – MTU Undergraduate Research Symposium, Houghton, MI, Spring 2015 (Driving Nanocars on Graphene Sheets: A Quantum Chemical Investigation)  – Poster (UG)

J. Vaclavek (UG), L. Valenzano – MTU Undergraduate Research Symposium, Houghton, MI, Spring 2015 (Leaching Metals and Inducing Oxidation Catalysis with Salen Complexes: A Quantum Chemical Study) – Poster (UG)

P. Winegar (UG), L. Valenzano – ACS 2015 Joint Great Lakes/Central Regional Meeting, Grand Rapids, MI, Summer 2015 (Driving Nanocars on Graphene Sheets: A Quantum Chemical Investigation) – Poster (UG)

 

 

2014

L. Valenzano – Chemistry Department, Marquette University, Milwaukee – WI, May 2014 (Organic Solids, Nanoporous, Cementing Materials: When Quantum Chemistry meets Applications) – Invited Seminar

L. Valenzano, Gemechis Degaga (GR) – ACS National Meeting, San Francisco, CA, August 2014 (Bringing New Efficiencies in Petroleum Refining Processes: In Silico Investigation on the Potential of Novel Porous Materials for Olefin and Paraffin Separation) – Invited Platform

L. Valenzano, K. Adhikari (PD) – ACS Regional Meeting, Columbia, November 2014 (Surface Properties of Active Pharmaceutical Ingredients (APIs): A Quantum Chemical Study on Acetaminophen) – Invited Platform

L. Valenzano, K. Adhikari (PD), Gordon Conference: Crystal Engineering – Form Meets Function, Waterville Valley, NH, June 2014 (Energetics of Active Pharmaceutical Ingredients (APIs) Surfaces: A Quantum Chemical Study) – Poster

G. Degaga (GR), L. Valenzano – MTU Graduate Research Symposium, Houghton, MI, Spring 2014 (Mr. G. Degaga -GR) (Computational Quantum Chemical Study of Adsorption of Light Hydrocarbons in Metal Organic Frameworks) – Poster (GR)

C. Stewart (UG), L. Valenzano – MTU Undergraduate Research Symposium, Houghton, MI, Spring 2014 (Encapsulation of Atmospheric Gases in a Fullerene Cage: A Quantum Chemical Investigation) – Poster (UG)

K. Weinard (UG), L. Valenzano – MTU Undergraduate Research Symposium, Houghton, MI, Spring 2014 (Acetylcholinesterase Inhibition by Aricept® and Analogs to Decrease Memory Loss in Alzheimer’s Patients) – Poster (UG)

C. Stewart (UG), L. Valenzano – NMU Students Research Symposium, Marquette, MI, Spring 2014 (Encapsulation of Atmospheric Gases in a Fullerene Cage: A Quantum Chemical Investigation) – Poster (UG)

K. Weinard (UG), L. Valenzano – NMU Students Research Symposium, Marquette, MI, Spring 2014 (Acetylcholinesterase Inhibition by Aricept® and Analogs to Decrease Memory Loss in Alzheimer’s Patients) – Poster (UG)

D. Beegle (UG), L. Valenzano – NMU Students Research Symposium, Marquette, MI, Spring 2014 (Awarded best poster) (Assembling the peptidoglycan bacterial cell wall: A stepwise quantum chemical approach) – Poster (UG – Awarded Best Poster)

M. Pirkola (UG), L. Valenzano – NMU Students Research Symposium, Marquette, MI, Spring 2014 (Revealing the Performance Barrier: First Principles Prediction of the Physical-Chemical Properties of New Co-Crystals for Rocket Propulsion) – Poster (UG)

M. Szatkowski (UG), L. Valenzano – NMU Students Research Symposium, Marquette, MI, Spring 2014 (Action of a broad spectrum antiviral medication against human herpes: A quantum chemical investigation) – Poster (UG)

G. Degaga (GR), L. Valenzano – NMU Students Research Symposium, Marquette, MI, Spring 2014 (On the Potential of Metal-Organic Frameworks (MOFs) in Petroleum Refining Processes: The Case of MOF-74-Mg) – Poster (UG)

M. Pirkola (UG), L. Valenzano – MSGC-NASA Annual Research Meeting, Ann Arbor, MI, Fall 2014 (Revealing the Performance Barrier: First Principles Prediction of the Physical-Chemical Properties of New Co-Crystals for Rocket Propulsion) – Poster (UG)

 

 

2013

L. Valenzano – Civil and Environmental Engineering Department, UCLA, Los Angeles, CA, March 2013 (Computational Investigation of Appealing Solid Materials: from Drugs, to Explosives, to Novel Nanoporous Materials) – Invited Seminar

L. Valenzano – Department of Defense, Aberdeen Proving Ground, March 2013 (Computational Investigation of Appealing Solid Materials: from Drugs, to Explosives, to Novel Nanoporous Materials) – Invited Seminar

L. Valenzano – Civil and Environmental Engineering Department, UCLA, Los Angeles, CA, October 2013 (Energetic, Nanoporous, and Cementing Materials: When Quantum Chemistry Meets Practical Applications) – Invited Seminar

L. Valenzano, K. Adhikari (PD), American Physical Society (APS), March Meeting, Baltimore, MD –USA, 2013 (Pharmaceutical Ingredients: Prediction of Physical-Chemical Properties from First Principles) – Platform

L. Valenzano, K. Adhikari (PD), American Chemical Society (ACS), New Orleans, LA – USA, April 2013 (Active Pharmaceutical Ingredients: Prediction of Physical-Chemical Properties from First Principles) – Platform

J. Zhang, S. Zhu, L. Valenzano, F.-T. Luo, H. Liu – ACS National Meeting and Exposition, Indianapolis, IN, Spring 2013 (BODIPY-based ratiometric fluorescent probes for the sensitive and selective sensing of cyanide ions) – Poster

D. Beegle (UG), L. Valenzano – ACS National Meeting and Exposition, Dallas, TX, Spring 2013 (Assembling the peptidoglycan bacterial cell wall: A stepwise quantum chemical approach) – Platform (UG) 

A. Perla (UG), L. Valenzano  – ACS National Meeting and Exposition, Dallas, TX, Spring 2013 (Action of a broad spectrum antiviral medication against human herpes: A quantum chemical investigation) – Platform (UG) 

G. Degaga (GR), L. Valenzano – ACS National Meeting and Exposition, Dallas, TX, Spring 2013 (Adsorption of light hydrocarbons in metal-organic frameworks: Computational study at quantum chemical level) – Platform (GR) 

K.Adhikari (PD), L. Valenzano – ACS National Meeting and Exposition, Dallas, TX, Spring 2013 (Mimicking thermal effects on bulk properties of molecular crystal polymorphs and cleaving their surfaces from first principles) – Platform (PD) 

J. Huang (PD), L. Valenzano, G. Sant – ACS National Meeting and Exposition, Dallas, TX, Spring 2013 (Influence of (Mg, Al, Fe) impurities on triclinic Ca3SiO5: Interpretations from DFT calculations) – Platform (PD) 

M. Pirkola (UG), L. Valenzano – MSGC-NASA Annual Research Meeting, Ann Arbor, MI, Fall 2013 (Revealing the Performance Barrier: First Principles Prediction of the Physical-Chemical Properties of New Co-Crystals for Rocket Propulsion) – Poster (UG) 

 

2012

L. Valenzano – Gordon Research Seminar: Metal-Organic Materials: Past, Present, and Future, Waterville Valley, NH, June 2012 – Also selected as Chair Person (Characterization of the Properties of Metal-Organic Frameworks from First Principles: Looking for Answers Combining Theory and Experiments) – Invited Platform

B. Civalleri, L. Valenzano, L. Maschio – Oxide 2012: V Workshop on Oxide Based Materials, Torino – Italy, 2012 (Dr. B. Civalleri) (Can the inorganic part of metal-organic frameworks be considered as a nanostructured oxide?) – Platform

A. J. Kennedy (UG), L. Valenzano – ACS National Meeting and Exposition, San Diego, CA, Spring 2012 (Computational prediction of the behavior of MOF-74 under hydrated conditions) – Platform (UG)

 

2011

L. Valenzano – MTU Physics Colloquium, Department of Physics, Houghton – MI, November 2010 (Theoretical Investigation of Metal-Organic Frameworks) – Invited Seminar

L. Valenzano – MTU Department of Chemistry, Houghton – MI, February 2011 (Accurate Computational Investigation of Appealing Solid Materials) – Invited Seminar

L. Valenzano, American Physical Society (APS), March Meeting, Dallas, TX – USA, 2011 (Van der Waals materials: what is the origin of the disagreement between ab initio calculations and experiments?) – Platform

L. Valenzano, Material Research Society (MRS), Spring Meeting, San Francisco – USA, 2011 (Ab initio fully periodic characterization of MOFs: structure, electronic properties, vibration, mechanical  properties, and adsorption) – Platform

L. Valenzano, W.J. Slough, W.F. Perger, SCCM – Shock and Compression Condensed Matter, Chicago – USA, 2011 (The challenge of predicting physical properties of energetic molecular crystals by first principles calculations) – Platform

J. Slough, L. Valenzano, W.P. Perger, SCCM – Shock and Compression Condensed Matter, Chicago – USA, 2011 (The Terahertz Infrared Spectrum of RDX: exploring mode anharmonicity) – Platform

C. Lamberti, L. Valenzano, B. Civalleri, J.G. Vitillo, F. Bonino, S. Bordiga, S. Chavan – ACS National Meeting and Exposition, Anaheim – USA, 2011 (Dr. C. Lamberti) (Structure-activity relationships of simple molecules adsorbed on MOF materials: in situ experiments vs. theory) – Platform

C. Criswell, W. F. Perger, K. M. Flurchick, L. Valenzano, W. J. Slough – SCCM – Shock and Compression Condensed Matter, Chicago – USA, 2011 (Dr. W. F. Perger) (The effect of a simulated volumetric expansion: Calculated vibrational properties and elastic constants of pentaerythritol) – Platform

K. M. Flurchick, W. F. Perger, W. J. Slough, L. Valenzano – SCCM – Shock and Compression Condensed Matter, Chicago – USA, 2011 (Dr. W. F. Perger) (Gamma Phase RDX: Geometry, Spectra and EOS) – Platform

W. F. Perger, W. J. Slough, L. Valenzano, K. M. Flurchick – SCCM – Shock and Compression Condensed Matter, Chicago – USA, 2011 (Dr. W. F. Perger) (Calculation of the vibrational spectra of RDX using the Grimme DFT potential) – Platform

D. Gianolio, J.G. Vitillo, B. Civalleri, S. Bordiga, U. Olsbye, K.P. Lillerud, L. Valenzano, C. Lamberti – XIX Italian Synchrotron Radiation Society (SILS) National Meeting, Trieste – I, 2011 (Mr. D. Gianoglio) (Combined study of structural properties on metal-organic frameworks with same topology but different linkers or metal) – Poster

 

2010

B. Civalleri, L. Valenzano – MOF2010, Marseille – FR, 2010 (Dr. B. Civalleri) (The Adsorption of CO and CO2 on CPO-27-M (M = Mg, Ni, Zn) through Quantum Mechanical Approaches) – Poster

B. Civalleri, L. Valenzano – MOF2010, Marseille – FR, 2010 (Dr. B. Civalleri (Electronic Properties of MOFs: An Ab-Initio Investigation) – Poster

G. Palomino, L. Valenzano, B. Civalleri, C. Otero-Arean – MOF2010, Marseille – FR, 2010 (Dr. G. Palomino) (Thermodynamics of Gas Adsorption on Mg-MOF-74: Combined Theoretical and Variable Temperature IR Spectroscopic Studies) – Poster

S. Bordiga, R. Blom, L. Valenzano, B. Civalleri – Workshop: MOF Synthesis and Structure, Royal Society of Chemistry, London – UK, 2010 (Dr. S. Bordiga) (Combined use of spectroscopies to understand adsorption properties of MOFs) – Platform