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Monotonically convergent optimization in quantum control using Krotov's method

The Journal of chemical physics, 2012-03, Vol.136 (10), p.104103-104103-16

2012

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Entropically induced asymmetric passage times of charged tracers across corrugated channels

The Journal of chemical physics, 2016-01, Vol.144 (3), p.034901-034901

2016

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Water around fullerene shape amphiphiles: A molecular dynamics simulation study of hydrophobic hydration

The Journal of chemical physics, 2015-06, Vol.142 (22), p.224308-224308

2015

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Crystals of Janus colloids at various interaction ranges

The Journal of chemical physics, 2016-08, Vol.145 (6)

2016

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Quantum kinetic energy densities: an operational approach

The Journal of chemical physics, 2005-04, Vol.122 (15), p.154106-154106

2005

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What Is the Contact Angle of Water on Graphene?

Langmuir, 2013-02, Vol.29 (5), p.1457-1465

2013

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Theoretical studies on CO2 capture behavior of quaternary ammonium-based polymeric ionic liquids

Physical chemistry chemical physics : PCCP, 2016-05, Vol.18 (18), p.13084-13091

2016

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Unique Features of Metformin: A Combined Experimental, Theoretical, and Simulation Study of Its Structure, Dynamics, and Interaction Energetics with DNA Grooves

The journal of physical chemistry. B, 2018-03, Vol.122 (8), p.2227-2242

2018

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Adsorption of phenol on microwave-assisted activated carbons: Modelling and interpretation

Journal of molecular liquids, 2019-01, Vol.274, p.309-314

2019

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Investigation of the adsorption mechanism of methylene blue (MB) on Cortaderia selloana flower spikes (FSs) and on Cortaderia selloana flower spikes derived carbon fibers (CFs)

Journal of molecular liquids, 2019-04, Vol.280, p.268-273

2019

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Theoretical investigation of the chlorophyll nucleus adsorption monitored with Quartz Crystal Microbalance technique: New insights on physicochemical properties

Journal of molecular liquids, 2019-09, Vol.289, p.111188, Article 111188

2019

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A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam

Physical chemistry chemical physics : PCCP, 2016, Vol.18 (41), p.28802-28818

2016

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Observation of stable HO4+ and DO4+ ions from ion-molecule reactions in helium nanodroplets

Physical chemistry chemical physics : PCCP, 2016-05, Vol.18 (19), p.13169-13172

2016

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Steered molecular dynamic simulations of the tautomeric equilibria in solution of DNA bases

Journal of molecular liquids, 2017-07, Vol.237, p.81-88

2017

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A theoretical study of nitric oxide adsorption and dissociation on copper-exchanged zeolites SSZ-13 and SAPO-34: the impact of framework acid-base properties

Physical chemistry chemical physics : PCCP, 2016-04, Vol.18 (16), p.11233-11242

2016

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Role of Bulk Water Environment in Regulation of Functional Hydrogen-Bond Network in Photoactive Yellow Protein

The journal of physical chemistry. B, 2015-12, Vol.119 (51), p.15537-15549

2015

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The Equally Important Role of Adenine Derivatives to That of Pyrimidine Derivatives in Near-0 eV Electron-Induced DNA Lesions

Chemphyschem, 2016-06, Vol.17 (11), p.1669-1677

2016

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Theoretical investigation on the mechanism and dynamics of oxo exchange of neptunyl(VI) hydroxide in aqueous solution

Physical chemistry chemical physics : PCCP, 2015-03, Vol.17 (11), p.7537-7547

2015

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Dynamical processes in condensed matter

Evans, Myron W. (Myron Wyn)

1985

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Transient coarsening and the motility of optically heated Janus colloids in a binary liquid mixture

Soft matter, 2020-09, Vol.16 (36), p.8359-8371

2020

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Proton transfer dynamics modified by CH-stretching excitation

Physical chemistry chemical physics : PCCP, 2020-06, Vol.22 (22), p.12382-12388

2020

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Ultrafast dissociation features in RIXS spectra of the water molecule

Physical chemistry chemical physics : PCCP, 2018, Vol.2 (21), p.14384-14397

2018

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Novel two-dimensional silicon-carbon binaries by crystal structure prediction

Physical chemistry chemical physics : PCCP, 2020-04, Vol.22 (16), p.8442-8449

2020

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Exact Open Quantum System Dynamics Using the Hierarchy of Pure States (HOPS)

Journal of chemical theory and computation, 2017-12, Vol.13 (12), p.5834-5845

2017

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The reaction of O(P) with alkynes: a dynamic and computational study focusing on formyl radical production

Physical chemistry chemical physics : PCCP, 2020-11, Vol.22 (42), p.24583-24599

2020

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Monotonically convergent optimization in quantum control using Krotov's method

Entropically induced asymmetric passage times of charged tracers across corrugated channels

Water around fullerene shape amphiphiles: A molecular dynamics simulation study of hydrophobic hydration

Crystals of Janus colloids at various interaction ranges

Quantum kinetic energy densities: an operational approach

What Is the Contact Angle of Water on Graphene?

Theoretical studies on CO2 capture behavior of quaternary ammonium-based polymeric ionic liquids

Unique Features of Metformin: A Combined Experimental, Theoretical, and Simulation Study of Its Structure, Dynamics, and Interaction Energetics with DNA Grooves

Adsorption of phenol on microwave-assisted activated carbons: Modelling and interpretation

Investigation of the adsorption mechanism of methylene blue (MB) on Cortaderia selloana flower spikes (FSs) and on Cortaderia selloana flower spikes derived carbon fibers (CFs)

Theoretical investigation of the chlorophyll nucleus adsorption monitored with Quartz Crystal Microbalance technique: New insights on physicochemical properties

A comparison of the experimental and theoretical charge density distributions in two polymorphic modifications of piroxicam

Observation of stable HO4+ and DO4+ ions from ion-molecule reactions in helium nanodroplets

Steered molecular dynamic simulations of the tautomeric equilibria in solution of DNA bases

A theoretical study of nitric oxide adsorption and dissociation on copper-exchanged zeolites SSZ-13 and SAPO-34: the impact of framework acid-base properties

Role of Bulk Water Environment in Regulation of Functional Hydrogen-Bond Network in Photoactive Yellow Protein

The Equally Important Role of Adenine Derivatives to That of Pyrimidine Derivatives in Near-0 eV Electron-Induced DNA Lesions

Theoretical investigation on the mechanism and dynamics of oxo exchange of neptunyl(VI) hydroxide in aqueous solution

Dynamical processes in condensed matter

Transient coarsening and the motility of optically heated Janus colloids in a binary liquid mixture

Proton transfer dynamics modified by CH-stretching excitation

Ultrafast dissociation features in RIXS spectra of the water molecule

Novel two-dimensional silicon-carbon binaries by crystal structure prediction

Exact Open Quantum System Dynamics Using the Hierarchy of Pure States (HOPS)

The reaction of O(P) with alkynes: a dynamic and computational study focusing on formyl radical production

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