Angela Wilson
Michigan State University
Appearances
DateApril 15, 2021Peroxisome proliferator receptor gamma (PPARg), a type II nuclear receptor fundamental in the regulation of genes, glucose metabolism, and insulin sensitization has been shown to be impacted by per- and poly-fluoroalkyl substances (PFASs)…Presenter
Speakers
PhD Student, Michigan State UniversityMichigan State University
DateApril 13, 2021Reliable thermochemistry predictions are vital to understanding reactivity and stability, and are important contributions from computational chemistry…Presenter
Speaker
Michigan State University
SESSION: COMP POSTER SESSION:Presenter
PhD Student, Michigan State UniversitySpeakers
Michigan State University
SESSION: COMP POSTER SESSION:Presenter
Quantum mechanics and molecular dynamics predictions of host-guest binding energies for the SAMPL7 complexes, Michigan State UniversitySpeakers
SESSION: PHYSICAL CHEMISTRY POSTER:Presenter
Postdoctoral Research Associate, Michigan State UniversitySpeakers
Michigan State University
SESSION: PHYSICAL CHEMISTRY POSTER:Presenter
Speakers
Michigan State University
SESSION: PHYSICAL CHEMISTRY POSTER:Presenter
Michigan State UniversitySpeakers
Michigan State UniversityAb initio and density functional approaches across the periodic table: From basis sets to composites
DateAugust 22, 2021A part of our group’s efforts are focused upon the development of _ab initio _approaches that aim for the accurate prediction of thermochemical properties across the periodic table…Speakers
Presenter
Michigan State University- DateAugust 22, 2021Division/Committee: [PHYS] Division of Physical Chemistry
Organizers
University of WashingtonIowa State UniversityPresider
Michigan State University - DateAugust 22, 2021Division/Committee: [PHYS] Division of Physical Chemistry
Organizers
University of WashingtonIowa State UniversityPresider
Michigan State University - DateAugust 24, 2021Achieving quantitative accuracy in the prediction of energetic properties can become challenging for the lanthanides and actinides due to increasing computational costs and, typically, increasing complexity of methodologies required…
Speakers
Presenter
Michigan State University - DateAugust 23, 2021Over the past sixty years, there have been incredible feats of science – putting a person on the moon, eradicating smallpox, unraveling the structure of DNA, decoding the human genome, and discovering elements of the periodic table up to 118, to name only several…
Presenter
Michigan State University - DateMarch 22, 2022Understanding the bonding in actinide compounds is essential for a broad range of applications from separation in spent nuclear fuel to catalysis…
Presenter
postdoctoral research associate, Michigan State UniversitySpeakers
- DateMarch 20, 2022Research on per- and poly-fluoroalkyl substances (PFASs) has grown immensely over the past several years. Even though there is plenty experimental work assessing the impact of PFASs on the environment, animals, and humans, on a molecular level, crucial insight is still limited…
Presenter
Speakers
Michigan State University - DateMarch 20, 2022Resonance between the excitation frequency of an ensemble of molecules and the electromagnetic mode of a microcavity produces a hybrid light-matter system…
Presenter
Postdoctoral Research Associate, Michigan State UniversitySpeakers
Michigan State University - DateMarch 24, 2022Lanthanide chemistry requires high level methodologies and multireference approaches to produce accurate ground and excited state spectroscopic data…
Presenter
Speakers
Michigan State University - DateMarch 24, 2022An open-shell approach for the multi-configuration electron-nuclear dynamics (MCEND) is described via spin-unrestricted formulations. The reduced density matrices were used to evaluate the electronic and nuclear mean fields…
Presenter
Quantum mechanics and molecular dynamics predictions of host-guest binding energies for the SAMPL7 complexes, Michigan State UniversitySpeakers
- DateMarch 24, 2022Understanding the bonding in actinide compounds is essential for a broad range of applications from separation in spent nuclear fuel to catalysis…
Presenter
postdoctoral research associate, Michigan State UniversitySpeakers
- DateMarch 24, 2022The thermochemistry properties of heavy element species are of great importance in many industries from nuclear waste treatment to cancer detection…
Presenter
Michigan State UniversitySpeakers
postdoctoral research associate, Michigan State UniversityMichigan State University - DateMarch 22, 2022Per- and polyfluoroalkyl substances (PFASs) are a class of environmentally persistent compounds that interfere with metabolic pathways in humans and in animals. These compounds have a widespread use from food packaging to water-repellent clothing and non-stick cookware…
Presenter
Speakers
- DateAugust 22, 2022Discovering greener energy solutions is at the forefront of catalysis research, and a solution may lie in the components of stars. High-level quantum chemical calculations are necessary in obtaining accurate thermochemical and spectroscopic information…
Presenter
Speaker
Michigan State University - DateAugust 23, 2022Recent advances in ultrafast spectroscopy have made possible the study of electron dynamics at the sub-femtosecond timescale, the natural timescale of an electron. These advances introduce the need for theoretical methods for modeling quantum processes on ultrafast timescales…
Presenter
Postdoctoral Research Associate, Michigan State UniversitySpeakers
Michigan State University - DateAugust 23, 2022Compact all-electron correlation consistent basis sets (cc-pVNZ and related) were previously designed by Mahler and Wilson for use with ab initio computational methods…
Presenter
Speakers
Michigan State University - DateAugust 23, 2022Correlation consistent basis sets (cc-pVxZ) were designed by Thomas Dunning Jr. and co-workers and have shown systematic improvement with increase of size…
Presenter
Speaker
Michigan State University - DateAugust 22, 2022Division/Committee: [ORGN] Division of Organic Chemistry
Organizer
Merck Research LabsPresiders
- DateAugust 21, 2022Division/Committee: [PRES] Presidential Events
Organizer, Presiders
Michigan State UniversitySenior Research Associate, Michigan State UniversityColorado School of MinesUniversity of North DakotaRobert L. Letsinger Professor of Chemistry, Northwestern UniversityMichigan State University - DateAugust 21, 2022Poly- and perfluoroalkyl substances (PFAS) are important emerging contaminants of concern as categorized by the United States Environmental Protection Agency (U.S. EPA)…
Presenter
Senior Research Associate, Michigan State UniversitySpeaker
Michigan State University - DateAugust 21, 2022Per- and polyfluoroalkyl substances (PFAS) are vital compounds to industry due to their hydrophobic and hydrophilic nature, resulting in non-stick and water-resistant properties…
Presenter
Michigan State University - DateAugust 21, 2022Division/Committee: [PRES] Presidential Events
Organizer, Presiders
Senior Research Associate, Michigan State UniversityColorado School of MinesUniversity of North DakotaRobert L. Letsinger Professor of Chemistry, Northwestern UniversityMichigan State University - DateAugust 21, 2022PFASs have been implicated in multiple diseases by over activating or inhibiting protein functions, which can have detrimental impacts…
Presenter
Speakers
PhD Student, Michigan State UniversityMichigan State University - DateAugust 23, 2022Division/Committee: [PRES] Presidential Events
Organizer, Presiders
Senior Research Associate, Michigan State UniversityColorado School of MinesUniversity of North DakotaRobert L. Letsinger Professor of Chemistry, Northwestern UniversityMichigan State University - The Correlation Consistent Composite Approach (ccCA) has been applied across the periodic table to molecules ranging in size from diatomic molecules to molecules of tens of atoms. It has been successfully applied to the 3_d_, 4_d_, and recently, 5_d_ transition metal-containing species…
Presenter
Speaker
Michigan State University - Real-time electronic structure methods describe the direct response of a quantum mechanical system to a time-dependent perturbation without the usual constraints of time-dependent perturbation theory (i.e. response theory)…
Presenter
Postdoc, Michigan State UniversitySpeaker
Michigan State University - Actinide halides and oxide compounds are pervasive in the nuclear industry as components of nuclear fuel and fission products, and understanding the chemistry of these compounds is essential for actinide enrichment and separation processes…
Presenter
postdoctoral research associate, Michigan State UniversitySpeaker
Michigan State University - With advances in ultrafast spectroscopy come the need to create methodologies to describe phenomena that occur in the relevant attosecond time scale. Quantum effects play a significant role in this regime, and full dynamic modelling of high harmonics and spin trapping can be important…
Presenter
Speakers
Michigan State University - Per- and polyfluorinated alkyl substances (PFAS) are a class of synthetic organic compounds that have a wide variety of applications due their unique amphiphilic properties and high stability…
Presenter
Speakers
Senior Research Associate, Michigan State UniversityMichigan State University - Per- and polyfluoroalkyl substances (PFASs) are a class of compounds that interfere with metabolic pathways in humans and in animals. These compounds are environmentally persistent and have widespread use from food packaging to water-repellent clothing, and fire-fighting foams…
Presenter
Speakers
- The ubiquitous presence of natural organic matter (NOM) and clay minerals in near- and subsurface regions plays a critical role in natural processes such as control of the transport and partitioning of organic and inorganic toxic species, carbon sequestration, and soil biogeochemistry…
Presenter
Senior Research Associate, Michigan State UniversitySpeaker
Michigan State University - Numerous mitigation efforts are ongoing to control/reduce the environmental footprint of CO2 in the atmosphere. Post-combustion carbon capture (PCC) is one of the promising methods to trap CO2, providing an economically viable solution…
Speakers
Senior Research Associate, Michigan State UniversityQuantum mechanics and molecular dynamics predictions of host-guest binding energies for the SAMPL7 complexes, Michigan State UniversityPresenter
Michigan State University - The Correlation Consistent Composite Approach (ccCA) has been applied across the periodic table to molecules ranging in size from diatomic molecules to molecules of tens of atoms. It has been successfully applied to the 3_d_, 4_d_, and recently, 5_d_ transition metal-containing species…
Speakers
Michigan State University - : [COMP] Division of Computers in Chemistry
Speakers
Florida State UniversityUniversity of California, MercedProf., University of PerugiaMichigan State UniversityPostdoctoral Researcher, Indiana UniversityIndiana UnivIndiana University BloomingtonVirginia Polytechnic Institute and State UniversityVirginia TechUniversity of Wisconsin-Madison College of Letters and Science - Real-time electronic structure methods describe the direct response of a quantum mechanical system to a time-dependent perturbation without the usual constraints of time-dependent perturbation theory (i.e. response theory)…
Speakers
Postdoc, Michigan State UniversityMichigan State University - : [COMP] Division of Computers in Chemistry
Speakers
Florida State UniversityUniversity of California, MercedPostdoc, Michigan State UniversityMichigan State UniversityThe Ohio State UniversityMolette Professor of Chemistry and Biochemistry, Auburn Universitypostdoctoral research associate, Michigan State UniversityAssistant Professor, Oakland UniversityAssistant Professor, University of DelawareUniversity of South DakotaVirginia Tech - Actinide halides and oxide compounds are pervasive in the nuclear industry as components of nuclear fuel and fission products, and understanding the chemistry of these compounds is essential for actinide enrichment and separation processes…
Speakers
postdoctoral research associate, Michigan State UniversityMichigan State University - With advances in ultrafast spectroscopy come the need to create methodologies to describe phenomena that occur in the relevant attosecond time scale. Quantum effects play a significant role in this regime, and full dynamic modelling of high harmonics and spin trapping can be important…
Speakers
- : [COMP] Division of Computers in Chemistry
Speakers
Florida State UniversityUniversity of California, MercedUniversity of California MercedUniversity of Wisconsin-Madison College of Letters and ScienceUC MercedMichigan State UniversityThe Ohio State UniversityThe Ohio State UniversityAssistant Professor, Appalachian State University - : [COMP] Division of Computers in Chemistry
Speakers
University of South FloridaAssociate Professor, Messiah CollegeIndiana Univ Purdue Univ IndianapolisUniversity of KentuckyAssociate Professor of Chemistry, University of KentuckyBrooklyn CollegeUniversity of PittsburghUniversity of Texas at El Paso University Research InstituteGeorgia Institute of TechnologyGeorgia Institute of TechPhD student, Carnegie Mellon UniversityPhD Student, Carnegie Mellon UniversityCarnegie Mellon UniversityUniversity of AkronAssociate Professor of Chemistry, Missouri State UniversityRutgers The State University of New JerseyResearch Scientist, Lawrence Berkeley National LaboratoryE O Lawrence Berkeley National LaboratoryAssistant Professor, Massachusetts Institute of TechnologyRutgers UniversityGraduate Student, University of Minnesota Twin CitiesUC BerkeleyUC BerkeleyPostdoctoral Associate, University of MinnesotaUniversity of MinnesotaMassachusetts Institute of TechnologyThe University of Texas at DallasWayne State UniversityCatalytic principles from natural enzymes for design of synthetic catalystsUniversity of MissouriUniversity of California San DiegoPostdoctoral Research Scholar, University of California, San DiegoUniversity of California, San DiegoRice UniversityGraduate Student, University of VictoriaUniversity of MarylandProfessor, Uppsala UniversityRheinisch Westfalische Technische Hochschule Aachen Fakultat fur Mathematik Informatik und NaturwissenschaftenHead of Lab Linked Scientific Knowledge, Technische InformationsbibliothekCalifornia Institute of TechnologyUniversity of California RiversideUniversity of CaliforniaGraduate Student, Rutgers UniversityUniv of Ontario Inst of TechSchrodinger IncMathew D. Halls, Ph.D.Senior Vice President, Materials Science, Schrödinger, Inc.Assistant Professor, Missouri State UniversityAssociate Professor, University of KansasPh.D. Student, Massachusetts Institute of TechnologyStony Brook UniversityCarlos Simmerling, PhDProfessor, SUNY Stony BrookProfessor, Indian Institute of Technology KharagpurAssociate Professor, Western University of Health SciencesAssociate Professor of Chemistry, Centenary UniversityPhD Student, Indian Institute of Technology JammuPennsylvania State UnivTexas A&M UniversityNationwide Children's HospitalUniv. of Maryland, PharmacyUniversity of PittsburghUniv of North CarolinaAssistant Professor, Eastern Illinois UniversityUniversity of Texas at DallasBrown UnivUniversity of South FloridaThe University of OklahomaUniversity of Kentucky College of Arts and SciencesChemistry Graduate Student, University of IowaUniversity of IowaThe University of MississippiPurdue UniversityAssistant Professor, University of FindlayAssociate Professor of Chemistry, University of FindlayJohns Hopkins UniversityJohns Hopkins UniversityUniversity of Illinois at Urbana-ChampaignUniversity of MinnesotaThe University of MemphisApplication Scientist, OptibriumLafayette CollegeIndian Institute of Technology DelhiUniversity of Wisconsin-Eau ClaireComputational Scientist, Pacific Nortwest National LaboratoryGraduate Student Researcher, University of California San DiegoUniversity of PittsburghMichigan State UniversityArgonne National LaboratoryMichigan State UniversityPostdoctoral Research Scholar, Michigan State UniversityMichigan State UniversityStaff Scientist, Sandia National LabsArizona State UniversityProfessor, Haverford CollegeNorth Dakota State UniversityAssociate Professor, North Dakota State UniversityPennsylvania State UniversityTexas A&M UnivIndiana UnivOld Dominion UniversityNorth Dakota State UniversityAssistant Professor, University of South Carolina SystemFlorida Gulf Coast UniversityAssociate Professor, Texas A&M University SystemSyracuse UniversityAssistant Professor, Oakland UniversityNorth Carolina State University - Per- and polyfluorinated alkyl substances (PFAS) are a class of synthetic organic compounds that have a wide variety of applications due their unique amphiphilic properties and high stability…
Speakers
Senior Research Associate, Michigan State UniversityMichigan State University - : [ENVR] Division of Environmental Chemistry
Speakers
US EPANaval Research LaboratorySenior Research Associate, Michigan State UniversityMichigan State UniversityUS Army ERDCSenior Chemical Engineeri, U,S Environmental Protection AgencyResearch Chemist, Environmental Development and Research Center (ERDC) - Per- and polyfluoroalkyl substances (PFASs) are a class of compounds that interfere with metabolic pathways in humans and in animals. These compounds are environmentally persistent and have widespread use from food packaging to water-repellent clothing, and fire-fighting foams…
Speakers
- The Correlation Consistent Composite Approach (ccCA) has been applied across the periodic table to molecules ranging in size from diatomic molecules to molecules of tens of atoms. It has been successfully applied to the 3_d_, 4_d_, and recently, 5_d_ transition metal-containing species…
Speakers
Michigan State University - : [COMP] Division of Computers in Chemistry
Speakers
Florida State UniversityUniversity of California, MercedProf., University of PerugiaMichigan State UniversityPostdoctoral Researcher, Indiana UniversityIndiana UnivIndiana University BloomingtonVirginia Polytechnic Institute and State UniversityVirginia TechUniversity of Wisconsin-Madison College of Letters and Science - Real-time electronic structure methods describe the direct response of a quantum mechanical system to a time-dependent perturbation without the usual constraints of time-dependent perturbation theory (i.e. response theory)…
Speakers
Postdoc, Michigan State UniversityMichigan State University - : [COMP] Division of Computers in Chemistry
Speakers
Florida State UniversityUniversity of California, MercedPostdoc, Michigan State UniversityMichigan State UniversityThe Ohio State UniversityMolette Professor of Chemistry and Biochemistry, Auburn Universitypostdoctoral research associate, Michigan State UniversityAssistant Professor, Oakland UniversityAssistant Professor, University of DelawareUniversity of South DakotaVirginia Tech - Actinide halides and oxide compounds are pervasive in the nuclear industry as components of nuclear fuel and fission products, and understanding the chemistry of these compounds is essential for actinide enrichment and separation processes…
Speakers
postdoctoral research associate, Michigan State UniversityMichigan State University - With advances in ultrafast spectroscopy come the need to create methodologies to describe phenomena that occur in the relevant attosecond time scale. Quantum effects play a significant role in this regime, and full dynamic modelling of high harmonics and spin trapping can be important…
Speakers
- : [COMP] Division of Computers in Chemistry
Speakers
Florida State UniversityUniversity of California, MercedUniversity of California MercedUniversity of Wisconsin-Madison College of Letters and ScienceUC MercedMichigan State UniversityThe Ohio State UniversityThe Ohio State UniversityAssistant Professor, Appalachian State University - : [COMP] Division of Computers in Chemistry
Speakers
University of South FloridaAssociate Professor, Messiah CollegeIndiana Univ Purdue Univ IndianapolisUniversity of KentuckyAssociate Professor of Chemistry, University of KentuckyBrooklyn CollegeUniversity of PittsburghUniversity of Texas at El Paso University Research InstituteGeorgia Institute of TechnologyGeorgia Institute of TechPhD student, Carnegie Mellon UniversityPhD Student, Carnegie Mellon UniversityCarnegie Mellon UniversityUniversity of AkronAssociate Professor of Chemistry, Missouri State UniversityRutgers The State University of New JerseyResearch Scientist, Lawrence Berkeley National LaboratoryE O Lawrence Berkeley National LaboratoryAssistant Professor, Massachusetts Institute of TechnologyRutgers UniversityGraduate Student, University of Minnesota Twin CitiesUC BerkeleyUC BerkeleyPostdoctoral Associate, University of MinnesotaUniversity of MinnesotaMassachusetts Institute of TechnologyThe University of Texas at DallasWayne State UniversityCatalytic principles from natural enzymes for design of synthetic catalystsUniversity of MissouriUniversity of California San DiegoPostdoctoral Research Scholar, University of California, San DiegoUniversity of California, San DiegoRice UniversityGraduate Student, University of VictoriaUniversity of MarylandProfessor, Uppsala UniversityRheinisch Westfalische Technische Hochschule Aachen Fakultat fur Mathematik Informatik und NaturwissenschaftenHead of Lab Linked Scientific Knowledge, Technische InformationsbibliothekCalifornia Institute of TechnologyUniversity of California RiversideUniversity of CaliforniaGraduate Student, Rutgers UniversityUniv of Ontario Inst of TechSchrodinger IncMathew D. Halls, Ph.D.Senior Vice President, Materials Science, Schrödinger, Inc.Assistant Professor, Missouri State UniversityAssociate Professor, University of KansasPh.D. Student, Massachusetts Institute of TechnologyStony Brook UniversityCarlos Simmerling, PhDProfessor, SUNY Stony BrookProfessor, Indian Institute of Technology KharagpurAssociate Professor, Western University of Health SciencesAssociate Professor of Chemistry, Centenary UniversityPhD Student, Indian Institute of Technology JammuPennsylvania State UnivTexas A&M UniversityNationwide Children's HospitalUniv. of Maryland, PharmacyUniversity of PittsburghUniv of North CarolinaAssistant Professor, Eastern Illinois UniversityUniversity of Texas at DallasBrown UnivUniversity of South FloridaThe University of OklahomaUniversity of Kentucky College of Arts and SciencesChemistry Graduate Student, University of IowaUniversity of IowaThe University of MississippiPurdue UniversityAssistant Professor, University of FindlayAssociate Professor of Chemistry, University of FindlayJohns Hopkins UniversityJohns Hopkins UniversityUniversity of Illinois at Urbana-ChampaignUniversity of MinnesotaThe University of MemphisApplication Scientist, OptibriumLafayette CollegeIndian Institute of Technology DelhiUniversity of Wisconsin-Eau ClaireComputational Scientist, Pacific Nortwest National LaboratoryGraduate Student Researcher, University of California San DiegoUniversity of PittsburghMichigan State UniversityArgonne National LaboratoryMichigan State UniversityPostdoctoral Research Scholar, Michigan State UniversityMichigan State UniversityStaff Scientist, Sandia National LabsArizona State UniversityProfessor, Haverford CollegeNorth Dakota State UniversityAssociate Professor, North Dakota State UniversityPennsylvania State UniversityTexas A&M UnivIndiana UnivOld Dominion UniversityNorth Dakota State UniversityAssistant Professor, University of South Carolina SystemFlorida Gulf Coast UniversityAssociate Professor, Texas A&M University SystemSyracuse UniversityAssistant Professor, Oakland UniversityNorth Carolina State University - Per- and polyfluorinated alkyl substances (PFAS) are a class of synthetic organic compounds that have a wide variety of applications due their unique amphiphilic properties and high stability…
Speakers
Senior Research Associate, Michigan State UniversityMichigan State University - : [ENVR] Division of Environmental Chemistry
Speakers
US EPANaval Research LaboratorySenior Research Associate, Michigan State UniversityMichigan State UniversityUS Army ERDCSenior Chemical Engineeri, U,S Environmental Protection AgencyResearch Chemist, Environmental Development and Research Center (ERDC) - Per- and polyfluoroalkyl substances (PFASs) are a class of compounds that interfere with metabolic pathways in humans and in animals. These compounds are environmentally persistent and have widespread use from food packaging to water-repellent clothing, and fire-fighting foams…
Speakers
- DateMarch 27, 2023The Correlation Consistent Composite Approach (ccCA) has been applied across the periodic table to molecules ranging in size from diatomic molecules to molecules of tens of atoms. It has been successfully applied to the 3_d_, 4_d_, and recently, 5_d_ transition metal-containing species…
Presenter
Speaker
Michigan State University - DateMarch 29, 2023Real-time electronic structure methods describe the direct response of a quantum mechanical system to a time-dependent perturbation without the usual constraints of time-dependent perturbation theory (i.e. response theory)…
Presenter
Postdoc, Michigan State UniversitySpeaker
Michigan State University - DateMarch 29, 2023Actinide halides and oxide compounds are pervasive in the nuclear industry as components of nuclear fuel and fission products, and understanding the chemistry of these compounds is essential for actinide enrichment and separation processes…
Presenter
postdoctoral research associate, Michigan State UniversitySpeaker
Michigan State University - DateMarch 29, 2023With advances in ultrafast spectroscopy come the need to create methodologies to describe phenomena that occur in the relevant attosecond time scale. Quantum effects play a significant role in this regime, and full dynamic modelling of high harmonics and spin trapping can be important…
Presenter
Speakers
Michigan State University - DateMarch 28, 2023The super-correlation consistent composite approach (s-ccCA) has been successful in the prediction of accurate dissociation energies for early 3_d_ and 4_d_ transition metal-containing species…
Presenter
Speaker
Michigan State University - DateMarch 28, 2023Per- and polyfluorinated alkyl substances (PFAS) are a class of synthetic organic compounds that have a wide variety of applications due their unique amphiphilic properties and high stability…
Presenter
Speakers
Senior Research Associate, Michigan State UniversityMichigan State University - DateMarch 28, 2023Per- and polyfluoroalkyl substances (PFASs) are a class of compounds that interfere with metabolic pathways in humans and in animals. These compounds are environmentally persistent and have widespread use from food packaging to water-repellent clothing, and fire-fighting foams…
Presenter
Speakers
- DateMarch 29, 2023The ubiquitous presence of natural organic matter (NOM) and clay minerals in near- and subsurface regions plays a critical role in natural processes such as control of the transport and partitioning of organic and inorganic toxic species, carbon sequestration, and soil biogeochemistry…
Presenter
Senior Research Associate, Michigan State UniversitySpeaker
Michigan State University - DateMarch 28, 2023Numerous mitigation efforts are ongoing to control/reduce the environmental footprint of CO2 in the atmosphere. Post-combustion carbon capture (PCC) is one of the promising methods to trap CO2, providing an economically viable solution…
Speakers
Senior Research Associate, Michigan State UniversityQuantum mechanics and molecular dynamics predictions of host-guest binding energies for the SAMPL7 complexes, Michigan State UniversityPresenter
Michigan State University - DateAugust 13, 2023Over the past sixty years, there have been incredible feats of science – putting a person on the moon, eradicating smallpox, unraveling the structure of DNA, decoding the human genome, and discovering elements of the periodic table up to 118, to name only several…
Presenter
Michigan State University - DateAugust 15, 2023Poly- and perfluoroalkyl substances (PFAS) are important emerging contaminants of concern as categorized by the United States Environmental Protection Agency (U.S. EPA)…
Presenter
Senior Research Associate, Michigan State UniversitySpeaker
Michigan State University - DateAugust 13, 2023The widespread use of per- and polyfluorinated substances (PFAS) in domestic and industrial applications have resulted in their ubiquitous presence in the environment…
Presenter
Speakers
Senior Research Associate, Michigan State UniversityMichigan State University - DateAugust 16, 2023The interaction of organic and inorganic species at mineral interfaces is central to understanding the behavior of toxic contaminants in near-surface environments…
Presenter
Senior Research Associate, Michigan State UniversitySpeaker
Michigan State University - DateAugust 13, 2023DIVISION/COMMITTEE: [ENVR] Division of Environmental Chemistry
Organizer, Presiders
NC State UniversitySenior Research Associate, Michigan State UniversityMichigan State University - DateAugust 13, 2023The use of per- and polyfluoroalkyl substances (PFAS) in many industrial and commercial applications for over six decades has resulted in them being ubiquitously present in the environment…
Presenter
Michigan State University - DateAugust 13, 2023DIVISION/COMMITTEE: [ENVR] Division of Environmental Chemistry
Organizer, Presiders
NC State UniversitySenior Research Associate, Michigan State UniversityMichigan State University - DateAugust 13, 2023Layered double hydroxides (LDH) are a class of environmental-friendly inorganic sorbents for sorption of per-and polyfluoroalkyl substances (PFAS) particularly anionic PFAS from water, owing to their high abundance of structural positive charges within the minerals…
Speakers
Senior Research Associate, Michigan State UniversityMichigan State UniversityPresenter
- DateAugust 13, 2023Per- and Polyfluorinated Substances (PFAS) have been indicated in many health issues. Multiple governments and international environmental agencies have already implemented regulations on these molecules. Recently the U.S…
Presenter
Speakers
Senior Research Associate, Michigan State UniversityMichigan State University - DateAugust 13, 2023Nuclear receptors (NRs) are the fundamental building blocks of gene expression regulation and the focus of many drug targets. The peroxisome proliferator-activator receptor gamma (PPARγ) and retinoid X receptor alpha (RXRα) form heterodimers, and act as transcription factors while binding to DNA…
Presenter
Speakers
Quantum mechanics and molecular dynamics predictions of host-guest binding energies for the SAMPL7 complexes, Michigan State UniversityMichigan State University - DateAugust 16, 2023DIVISION/COMMITTEE: [ENVR] Division of Environmental Chemistry
Organizers
NC State UniversitySenior Research Associate, Michigan State UniversityMichigan State University - DateAugust 16, 2023Per- and poly-fluoroalkyl substances (PFASs) are a family of compounds that have many application areas in the industry, including but not limited to firefighting foams, food packaging, and water-repellant surface coatings…
Presenter
Speakers
- DateAugust 15, 2023Per- and polyfluoroalkyl substances (PFASs) are a family of compounds that interfere with metabolic pathways in humans and in animals…
Presenter
Speakers
- DateAugust 15, 2023Per- and polyfluoroalkyl substances (PFASs) are a family of compounds that interfere with metabolic pathways in humans and in animals. These compounds have widespread use from food packaging to water-repellent clothing and are known to be environmentally persistent…
Presenter
Speakers
- DateAugust 15, 2023Nuclear receptors are transcription factors that regulate a myriad of cellular functions, including cell differentiation, proliferation, immunity, and homeostasis. Their central regulatory role in important cellular processes makes them common targets for various therapeutics…
Presenters
Speakers
PhD Student, Michigan State UniversityMichigan State University - DateAugust 15, 2023Multireference_ ab initio _approaches are important in detailing the ground many excited states and spin multiplicities of lanthanide and actinide species, while offering reliable routes towards calculating accurate spectroscopic properties…
Presenter
Speaker
Michigan State University - DateAugust 14, 2023In addressing the daunting global challenges and opportunities of the future such as those set forth by the United Nations Sustainability Development Goals, the chemical sciences are key. Ensuring that there is a strong and growing chemical workforce to pursue such challenges is vital. The U.S…
Presenter
Michigan State University - DateMarch 19, 2024_Ab initio_ composite methods have provided a useful way to access molecules of increasing size with well-demonstrated accuracies. Our group has developed a broad strategy towards _ab initio _composites, extending across the entire periodic table…
Presenter
Michigan State University - DateMarch 18, 2024Per- and polyfluoroalkyl substances (PFAS) are of high concern due to their extreme persistence in natural environments and significant toxicological effects on biological systems at trace concentrations…
Presenter
Speakers
Senior Research Associate, Michigan State UniversityMichigan State University - DateMarch 18, 2024Per- and polyfluoroalkyl substances (PFAS) are emerging contaminants of concern due to their ubiquitous presence in environmental settings including soils, sediments, ground- and surface waters…
Presenter
Senior Research Associate, Michigan State UniversitySpeakers
Michigan State University Molecular-level insights into the behavior of new age PFAS in soil environments | Poster Board #1311
DateMarch 20, 2024Poly- and perfluoroalkyl substances (PFAS) are a class of highly persistent contaminants that are known to cause numerous health issues in both humans and in wildlife…Presenter
Speakers
Senior Research Associate, Michigan State UniversityMichigan State University- DateMarch 20, 2024The unique hydrophilic and hydrophobic properties of per- and poly-fluoroalkyl substances (PFAS) are responsible for their use in many industrial and commercial applications for more than half a century…
Presenter
Speakers
Senior Research Associate, Michigan State UniversityMichigan State University - DateMarch 20, 2024Per- and polyfluoroalkyl substances (PFAS) are contaminants that show persistence in the environment for decades. Their stability is due to the presence of multiple C-F bonds, which increases resistance to natural forms of degradation…
Presenter
Speakers
Senior Research Associate, Michigan State UniversityMichigan State University - DateMarch 18, 2024Polaritonic states, which are formed by resonances between a molecular excitation and the photonic mode of a cavity, offer new routes to control chemical reactions and properties using electric fields…
Presenter
Postdoctoral Research Associate, Michigan State UniversitySpeaker
Michigan State University - DateAugust 19, 2024Per- and polyfluoroalkyl substances (PFAS) are a class of synthetic compounds that are highly persistent in the environment and can accumulate in biological systems…
Presenter
Speakers
Senior Research Associate, Michigan State UniversityMichigan State University - DateAugust 18, 2024Per- and polyfluoroalkyl substances (PFAS) are a group of highly persistent, synthetic chemicals used in numerous industrial and consumer applications for decades. There are thousands of PFAS compounds, with perfluorooctanoic acid (PFOA) and perfluorooctanesulfonic acid (PFOS) being the most common…
Presenter
Speakers
Quantum mechanics and molecular dynamics predictions of host-guest binding energies for the SAMPL7 complexes, Michigan State UniversitySenior Research Associate, Michigan State UniversityMichigan State University - DateAugust 19, 2024The chemical sciences continue to evolve, and ensuring that our students are well-equipped for the present and future are vital…
Presenter
Michigan State University - DateAugust 20, 2024The field of polaritonic chemistry has emerged in recent years due to the possibilities of modifying chemical reactivity by strongly coupling molecules to cavity modes…
Presenter
Postdoctoral Research Associate, Michigan State UniversitySpeaker
Michigan State University - DateAugust 21, 2024Real-time electronic structure methods describe the direct response of a quantum mechanical system to a time-dependent perturbation without the usual constraints of time-dependent perturbation theory (i.e. response theory)…
Presenter
Postdoc, Michigan State UniversitySpeakers
Postdoctoral Research Associate, Michigan State UniversityMichigan State University - DateMarch 26, 2025DIVISION/COMMITTEE: [ENVR: Division of Environmental Chemistry]
Organizers
Univ at BuffaloUniversity of Maryland Baltimore CountyUniversity of ArkansasMichigan State UniversityMichigan State University
