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Ben Leimkuhler

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  • Deprecated function: Return type of DatabaseStatementBase::execute($args = [], $options = []) should either be compatible with PDOStatement::execute(?array $params = null): bool, or the #[\ReturnTypeWillChange] attribute should be used to temporarily suppress the notice in require_once() (line 2244 of /home/maxwell/public_html/migsaa/includes/database/database.inc).
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  • Deprecated function: Return type of DatabaseStatementEmpty::key() should either be compatible with Iterator::key(): mixed, or the #[\ReturnTypeWillChange] attribute should be used to temporarily suppress the notice in require_once() (line 2346 of /home/maxwell/public_html/migsaa/includes/database/database.inc).
  • Deprecated function: Return type of DatabaseStatementEmpty::valid() should either be compatible with Iterator::valid(): bool, or the #[\ReturnTypeWillChange] attribute should be used to temporarily suppress the notice in require_once() (line 2346 of /home/maxwell/public_html/migsaa/includes/database/database.inc).
  • Deprecated function: Return type of DatabaseStatementEmpty::rewind() should either be compatible with Iterator::rewind(): void, or the #[\ReturnTypeWillChange] attribute should be used to temporarily suppress the notice in require_once() (line 2346 of /home/maxwell/public_html/migsaa/includes/database/database.inc).
  • Deprecated function: Optional parameter $data declared before required parameter $info is implicitly treated as a required parameter in include_once() (line 1389 of /home/maxwell/public_html/migsaa/includes/bootstrap.inc).
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  • Deprecated function: Return type of DateObject::__wakeup() should either be compatible with DateTime::__wakeup(): void, or the #[\ReturnTypeWillChange] attribute should be used to temporarily suppress the notice in include_once() (line 143 of /home/maxwell/public_html/migsaa/sites/all/modules/contrib/date/date_api/date_api.module).
  • Deprecated function: Return type of DateObject::format($format, $force = false) should either be compatible with DateTime::format(string $format): string, or the #[\ReturnTypeWillChange] attribute should be used to temporarily suppress the notice in include_once() (line 143 of /home/maxwell/public_html/migsaa/sites/all/modules/contrib/date/date_api/date_api.module).
  • Deprecated function: Return type of DateObject::setTimezone($tz, $force = false) should either be compatible with DateTime::setTimezone(DateTimeZone $timezone): DateTime, or the #[\ReturnTypeWillChange] attribute should be used to temporarily suppress the notice in include_once() (line 143 of /home/maxwell/public_html/migsaa/sites/all/modules/contrib/date/date_api/date_api.module).
  • Deprecated function: Optional parameter $data declared before required parameter $name is implicitly treated as a required parameter in require_once() (line 341 of /home/maxwell/public_html/migsaa/includes/module.inc).
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  • Deprecated function: rtrim(): Passing null to parameter #1 ($string) of type string is deprecated in url() (line 2349 of /home/maxwell/public_html/migsaa/includes/common.inc).
  • Deprecated function: Optional parameter $base_table declared before required parameter $options is implicitly treated as a required parameter in include_once() (line 3492 of /home/maxwell/public_html/migsaa/includes/bootstrap.inc).
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  • Deprecated function: Return type of RulesRecursiveElementIterator::hasChildren() should either be compatible with RecursiveIterator::hasChildren(): bool, or the #[\ReturnTypeWillChange] attribute should be used to temporarily suppress the notice in include_once() (line 2088 of /home/maxwell/public_html/migsaa/sites/all/modules/contrib/rules/includes/rules.core.inc).
  • Deprecated function: Return type of RulesRecursiveElementIterator::getChildren() should either be compatible with RecursiveIterator::getChildren(): ?RecursiveIterator, or the #[\ReturnTypeWillChange] attribute should be used to temporarily suppress the notice in include_once() (line 2088 of /home/maxwell/public_html/migsaa/sites/all/modules/contrib/rules/includes/rules.core.inc).
  • Deprecated function: Return type of RulesContainerPlugin::getIterator() should either be compatible with IteratorAggregate::getIterator(): Traversable, or the #[\ReturnTypeWillChange] attribute should be used to temporarily suppress the notice in include_once() (line 2102 of /home/maxwell/public_html/migsaa/sites/all/modules/contrib/rules/includes/rules.core.inc).
  • Deprecated function: strpos(): Passing null to parameter #1 ($haystack) of type string is deprecated in url_is_external() (line 2393 of /home/maxwell/public_html/migsaa/includes/common.inc).
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Prof Ben Leimkuhler

People Details

Location: 
University of Edinburgh
Tel: 
0131 650 4882
Room: 
JCMB 6322
Personal Website: 

I study fundamental principles underpinning algorithms for dynamical simulation.

My recent work has included: accelerated sampling of molecular dynamics; extended variable (e.g. Andersen/Nose) molecular dynamics; geometric integrators for physical and chemical applications, including Coulombic N-body dynamics with close encounters, constrained dynamics, rigid body systems; hard-sphere billiards; time/coordinate transformations for adaptive geometric integration; multiple time-scale integration methods based on averaging; applications of molecular algorithms in materials simulation and bio-molecular modelling.

I am always looking for research students who wish to work on projects involving numerical methods, dynamical systems and the application of mathematics to science and engineering. At the beginning it is not essential to have a specialised preparation, but it is crucial that any student I work with be strongly motivated to explore ideas from both theoretical and practical perspectives. By combining theoretical insight with an understanding of practical aspects, my previous PhD students have done well at securing academic positions.

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